Molecule

ID:112660

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆

Molecular Mass

112.21264

Exact Mass

112.12520051

Charge

0

InChI

InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h6H,4-5,7H2,1-3H3

InChIKey

KKVVJQGDNYIIMN-UHFFFAOYSA-N

Canonic Smiles

CCC/C(=C/CC)/C

Isomeric Smiles

CCC/C(=C/CC)/C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.4571462

LogD (pH = 7.4)

3.4571462

Log P

3.4571462

Molar Refractivity

39.4078

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