Molecule

ID:50102

General Information

Structure

Molecular Formula

C₁₀H₁₂O₂

Molecular Mass

164.20108

Exact Mass

164.08372962

Charge

0

InChI

InChI=1S/C10H12O2/c1-7-4-8(2)10(12-3)9(5-7)6-11/h4-6H,1-3H3

InChIKey

BAFJEFNETRXGGT-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cc(C)cc(c1OC)C

Isomeric Smiles

c1(c(c(cc(c1)C)C)OC)C=O

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.5549197

LogD (pH = 7.4)

2.5549197

Log P

2.5549197

Molar Refractivity

49.1876

Polarizability

18.267979

Polar Surface Area

26.3

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity