Molecule

ID:85259

General Information

Structure

MolImage

Molecular Formula

C₁₂H₁₇ClO₂

Molecular Mass

228.71518

Exact Mass

228.09170746

Charge

0

InChI

InChI=1S/C12H17ClO2/c13-7-11(14)15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2

InChIKey

FDQLHIURACSAPA-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)OC12CC3CC(C2)CC(C1)C3

Isomeric Smiles

O(C12CC3CC(C1)CC(C2)C3)C(=O)CCl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.5512986

LogD (pH = 7.4)

2.5512986

Log P

2.5512986

Molar Refractivity

57.7828

Polarizability

23.265596

Polar Surface Area

26.3

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity