Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1729
- Core Entity Id
- 5111
- Source Entity Count
- 1
- Preferred Name
- 2-chloroacetamide
- Name En
- Pubchem Id
- 6580
- Smiles Canonical
- C(C(=O)N)Cl
- Molecular Formula
- C2H4ClNO
- Molecular Weight
- 93.5130
- Inchikey
- VXIVSQZSERGHQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
- Isomeric Smiles
- C(C(=O)N)Cl
- Cas Id
- Ob Score
- Mol Logp
- -0.2895
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Chloroacetamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Chloroacetamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-chloroacetamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-chloroacetamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-chloroacetamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Chloracetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Chloracetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Chloroethanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Chloroethanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
79-07-2
Role
alias
Source
HERB_v2
Preferred
No
Name
79-07-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetamide, 2-chloro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetamide, 2-chloro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHLORACETAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
CHLORACETAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chloracetamid
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloracetamid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chloroacetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloroacetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mergal AF
Role
alias
Source
HERB_v2
Preferred
No
Name
Mergal AF
Role
alias
Source
itcmdb_public
Preferred
No
Name
Microcide
Role
alias
Source
HERB_v2
Preferred
No
Name
Microcide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Chloracetamide2-Chloroethanamide79-07-2Acetamide, 2-chloro-CHLORACETAMIDEChloracetamidChloroacetamideMergal AFMicrocide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005457
Npass
NPC199978
Tcmid
33491
Sym Map
SMIT20609
Pub Chem
6580
Tcmbank
TCMBANKIN008273
Itcmdb Generated
ITX-INGREDIENT-CAE76DE84EFF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
Mol Wt
93.513
Smiles
C(C(=O)N)Cl
Mol Log P
-0.2895
Version
v2
In Ch Ikey
VXIVSQZSERGHQP-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.445
Num Hacceptors
1
Isomeric Smiles
C(C(=O)N)Cl
Canonical Smiles
C(C(=O)N)Cl
Herb Alias Names
Chloroacetamide79-07-2Acetamide, 2-chloro-CHLORACETAMIDEMicrocide2-ChloroethanamideMergal AFChloracetamid2-Chloracetamide
Molecular Weight
93.51 g/mol
Molecular Formula
C2H4ClNO
Molecular Formula
C2H4ClNO
Num Rotatable Bonds
1