Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14283
- Core Entity Id
- 19045
- Source Entity Count
- 1
- Preferred Name
- Chlorohydrin
- Name En
- Pubchem Id
- 53630748
- Smiles Canonical
- C(C(=O)CCl)[O]
- Molecular Formula
- C3H7ClO2
- Molecular Weight
- 110.5400
- Inchikey
- SSZWWUDQMAHNAQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
- Isomeric Smiles
- C(C(CCl)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4216
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chlorohydrin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chlorohydrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chlorohydrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chlorohydrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
chlorohydrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-Propanediol, 3-chloro-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Propanediol, 3-chloro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
157406-EP2275417A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157406-EP2275417A2
Role
alias
Source
TCMBank
Preferred
No
Name
157406-EP2284162A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157406-EP2284162A2
Role
alias
Source
TCMBank
Preferred
No
Name
157406-EP2284163A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157406-EP2284163A2
Role
alias
Source
TCMBank
Preferred
No
Name
157422-EP2275417A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157422-EP2275417A2
Role
alias
Source
TCMBank
Preferred
No
Name
157422-EP2284162A2
Role
alias
Source
TCMBank
Preferred
No
Name
157422-EP2284162A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157422-EP2284163A2
Role
alias
Source
TCMBank
Preferred
No
Name
157422-EP2284163A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157437-EP2275417A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157437-EP2275417A2
Role
alias
Source
TCMBank
Preferred
No
Name
157437-EP2284162A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157437-EP2284162A2
Role
alias
Source
TCMBank
Preferred
No
Name
157437-EP2284163A2
Role
alias
Source
TCMBank
Preferred
No
Name
157437-EP2284163A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157463-EP2275417A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157463-EP2275417A2
Role
alias
Source
TCMBank
Preferred
No
Name
157463-EP2284162A2
Role
alias
Source
TCMBank
Preferred
No
Name
157463-EP2284162A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157463-EP2284163A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
157463-EP2284163A2
Role
alias
Source
TCMBank
Preferred
No
Name
162086-EP2284146A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
162086-EP2284146A2
Role
alias
Source
TCMBank
Preferred
No
Name
162086-EP2284147A2
Role
alias
Source
TCMBank
Preferred
No
Name
162086-EP2284147A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-Chloro-1,2-propanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Chloro-1,2-propanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Chloropropane-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Chloropropane-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
96-24-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
96-24-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Chlorodeoxyglycerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chlorodeoxyglycerol
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloropropanediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chloropropanediol
Role
alias
Source
HERB_v2
Preferred
No
Name
Epibloc
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epibloc
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycerol alpha-monochlorohydrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycerol alpha-monochlorohydrin
Role
alias
Source
HERB_v2
Preferred
No
Name
a-chlorohydrin
Role
alias
Source
HERB_v2
Preferred
No
Name
a-chlorohydrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Chlorohydrin
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Chlorohydrin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2-Propanediol, 3-chloro-157406-EP2275417A2157406-EP2284162A2157406-EP2284163A2157422-EP2275417A2157422-EP2284162A2157422-EP2284163A2157437-EP2275417A2157437-EP2284162A2157437-EP2284163A2157463-EP2275417A2157463-EP2284162A2157463-EP2284163A2162086-EP2284146A2162086-EP2284147A23-Chloro-1,2-propanediol3-Chloropropane-1,2-diol96-24-2ChlorodeoxyglycerolChloropropanediolEpiblocGlycerol alpha-monochlorohydrina-chlorohydrinalpha-Chlorohydrin
Cross References
Trusted external identifiers retained for this final record.
Cas
96-24-2
Herb
HBIN020370
Npass
NPC58813
Tcmid
23026
Sym Map
SMIT18296
Tcm Id
5757
Pub Chem
536307487290
Tcmbank
TCMBANKIN015950
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
Mol Wt
110.54
Smiles
C(C(=O)CCl)[O]
Mol Log P
-0.4216
Version
v1,v2
In Ch Ikey
SSZWWUDQMAHNAQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.474
Num Hacceptors
2
Isomeric Smiles
C(C(CCl)O)O
Canonical Smiles
C(C(CCl)O)O
Herb Alias Names
3-Chloro-1,2-propanediol96-24-23-Chloropropane-1,2-diolalpha-ChlorohydrinChlorodeoxyglycerolEpiblocGlycerol alpha-monochlorohydrin1,2-Propanediol, 3-chloro-Chloropropanediola-chlorohydrin
Molecular Weight
107.51 g/mol
Molecular Formula
C3H4ClO2
Molecular Formula
C3H7ClO2
Num Rotatable Bonds
2