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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

3-methylhexane

C7H16

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
3-methylhexane
Molecular Formula
C7H16
Molecular Weight
No data
Canonical SMILES
CCCC(C)CC
Isomeric SMILES
CCCC(C)CC
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
Oral Bioavailability
38.193
Drug Likeness
0.511
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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