Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15792
- Core Entity Id
- 20722
- Source Entity Count
- 1
- Preferred Name
- Cyclohexyl bromide
- Name En
- Pubchem Id
- 7960
- Smiles Canonical
- C1CCC(CC1)Br
- Molecular Formula
- C6H11Br
- Molecular Weight
- 163.0580
- Inchikey
- AQNQQHJNRPDOQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
- Isomeric Smiles
- C1CCC(CC1)Br
- Cas Id
- Ob Score
- Mol Logp
- 2.7140
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclohexyl bromide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclohexyl bromide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cyclohexyl bromide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Bromocyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Bromocyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
108-85-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
108-85-0
Role
alias
Source
HERB_v2
Preferred
No
Name
BROMOCYCLOHEXANE
Role
alias
Source
HERB_v2
Preferred
No
Name
BROMOCYCLOHEXANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexane, bromo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexane, bromo-
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-11207
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-11207
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-YA0UMS4RNY
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-YA0UMS4RNY
Role
alias
Source
HERB_v2
Preferred
No
Name
YA0UMS4RNY
Role
alias
Source
HERB_v2
Preferred
No
Name
YA0UMS4RNY
Role
alias
Source
itcmdb_public
Preferred
No
Name
cyclohexylbromide
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclohexylbromide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Bromocyclohexane108-85-0BROMOCYCLOHEXANECyclohexane, bromo-NSC-11207UNII-YA0UMS4RNYYA0UMS4RNYcyclohexylbromide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022260
Tcmid
33629
Pub Chem
7960
Tcmbank
TCMBANKIN013730
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
Mol Wt
163.058
Smiles
C1CCC(CC1)Br
Mol Log P
2.714000000000001
In Ch Ikey
AQNQQHJNRPDOQV-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.481
Num Hacceptors
0
Isomeric Smiles
C1CCC(CC1)Br
Canonical Smiles
C1CCC(CC1)Br
Herb Alias Names
BROMOCYCLOHEXANE108-85-0Cyclohexane, bromo-1-Bromocyclohexanebromo-cyclohexaneYA0UMS4RNYNSC-11207cyclohexylbromideUNII-YA0UMS4RNY
Molecular Weight
163.06 g/mol
Molecular Formula
C6H11Br
Molecular Formula
C6H11Br
Num Rotatable Bonds
0