Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70331
- Core Entity Id
- 132980
- Source Entity Count
- 1
- Preferred Name
- benzylcarbamic acid
- Name En
- Pubchem Id
- 230054
- Smiles Canonical
- C1=CC=C(C=C1)CNC(=O)O
- Molecular Formula
- C8H9NO2
- Molecular Weight
- 151.0600
- Inchikey
- RRIWSQXXBIFKQM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H9NO2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 49.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzylcarbamic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
benzylcarbamic acid
Itcmdb Generated
ITX-INGREDIENT-B71FA514EE6D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
151.060
Molecular Formula
C8H9NO2
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.672