Molecule

ID:111997

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄

Molecular Mass

110.19676

Exact Mass

110.10955045

Charge

0

InChI

InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3

InChIKey

QIWJMWAOAINRPL-UHFFFAOYSA-N

Canonic Smiles

C/C=C/CC(C=C)C

Isomeric Smiles

C/C=C/CC(C)C=C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.196816

LogD (pH = 7.4)

3.196816

Log P

3.196816

Molar Refractivity

39.7185

Polarizability

15.07101

Polar Surface Area

0.0

Rotatable Bonds

3

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