Molecule

ID:112779

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₆

Molecular Mass

136.23404

Exact Mass

136.12520051

Charge

0

InChI

InChI=1S/C10H16/c1-8(2)6-10(5)7-9(3)4/h6H,1,3,7H2,2,4-5H3

InChIKey

ZHGQAJFRWAXWEK-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.3358927

LogD (pH = 7.4)

3.3358927

Log P

3.3358927

Molar Refractivity

48.06

Polarizability

18.538834

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