Molecule

ID:128657

General Information

Structure

Molecular Formula

C₇H₁₂

Molecular Mass

96.17018

Exact Mass

96.09390038

Charge

0

InChI

InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2

InChIKey

WPHGSKGZRAQSGP-UHFFFAOYSA-N

Canonic Smiles

C1CCC2C(C1)C2

Isomeric Smiles

C1C2CCCCC12

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.3331556

LogD (pH = 7.4)

2.3331556

Log P

2.3331556

Molar Refractivity

30.3

Polarizability

12.18565

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity