Molecule

ID:10462

General Information

Structure

MolImage

Molecular Formula

C₁₅H₁₂O₂

Molecular Mass

224.25458

Exact Mass

224.08372962

Charge

0

InChI

InChI=1S/C15H12O2/c16-10-15(11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15H

InChIKey

XUUQGMCYFDBDJI-UHFFFAOYSA-N

Canonic Smiles

O=CC(c1ccc(cc1)c1ccccc1)C=O

Isomeric Smiles

c1cccc(c1)c1ccc(cc1)C(C=O)C=O

Calculated Properties

JChem

Acid pKa

0.07683929

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.52093965

LogD (pH = 7.4)

-0.5234905

Log P

2.6756659

Molar Refractivity

66.9427

Polarizability

26.998407

Polar Surface Area

34.14

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity