Molecule

ID:109359

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₆O

Molecular Mass

152.23344

Exact Mass

152.12011513

Charge

0

InChI

InChI=1S/C10H16O/c1-2-3-6-9-7-4-5-8-10(9)11/h6H,2-5,7-8H2,1H3

InChIKey

MYSLPKPAMDRDGE-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C\1/CCCCC1=O

Isomeric Smiles

CCC/C=C\1/CCCCC1=O

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.2152743

LogD (pH = 7.4)

3.2152743

Log P

3.2152743

Molar Refractivity

47.5008

Polarizability

18.259748

Polar Surface Area

17.07

Rotatable Bonds

2

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