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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

heptan-2-one

C7H14O

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
heptan-2-one
Molecular Formula
C7H14O
Molecular Weight
114.190
Canonical SMILES
CCCCCC(=O)C
Isomeric SMILES
No data
InChI
No data
Oral Bioavailability
No data
Drug Likeness
No data
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
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