Molecule

ID:107657

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆

Molecular Mass

112.21264

Exact Mass

112.12520051

Charge

0

InChI

InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3

InChIKey

CYEZJYAMLNTSKN-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C/C(C)C

Isomeric Smiles

CCC/C=C/C(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.500804

LogD (pH = 7.4)

3.500804

Log P

3.500804

Molar Refractivity

39.6744

Polarizability

15.295921

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