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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Valerophenone

C11H14O

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Valerophenone
Molecular Formula
C11H14O
Molecular Weight
No data
Canonical SMILES
CCCCC(=O)C1=CC=CC=C1
Isomeric SMILES
CCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
Oral Bioavailability
42.577
Drug Likeness
0.622
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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