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
- 64096
- Core Entity Id
- 111114
- Source Entity Count
- 1
- Preferred Name
- Isothiocyanato-Cyclohexane
- Name En
- Pubchem Id
- 14289
- Smiles Canonical
- C1CCC(CC1)N=C=S
- Molecular Formula
- C7H11NS
- Molecular Weight
- 141.2400
- Inchikey
- MZSJGCPBOVTKHR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 44.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isothiocyanato-Cyclohexane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24767
Itcmdb Generated
ITX-INGREDIENT-4242AA17A94C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0