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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Benzylacetone

C10H12O

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
14

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Benzylacetone
Molecular Formula
C10H12O
Molecular Weight
No data
Canonical SMILES
CC(=O)CCC1=CC=CC=C1
Isomeric SMILES
CC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
Oral Bioavailability
25.779
Drug Likeness
0.642
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

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Direct relations and traceable candidates grouped by relation type.

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