Molecule

ID:112331

General Information

Structure

Molecular Formula

C₇H₁₄

Molecular Mass

98.18606

Exact Mass

98.10955045

Charge

0

InChI

InChI=1S/C7H14/c1-5-7(4)6(2)3/h5H2,1-4H3

InChIKey

WFHALSLYRWWUGH-UHFFFAOYSA-N

Canonic Smiles

CCC(=C(C)C)C

Isomeric Smiles

CCC(=C(C)C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.8113701

LogD (pH = 7.4)

2.8113701

Log P

2.8113701

Molar Refractivity

34.4878

Polarizability

13.44952

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity