Molecule

ID:10644

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₂O

Molecular Mass

196.24448

Exact Mass

196.088815

Charge

0

InChI

InChI=1S/C14H12O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3

InChIKey

HUHQPWCDGRZWMH-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cccc(c1)c1ccccc1

Isomeric Smiles

c1cccc(c1)c1cc(ccc1)C(=O)C

Calculated Properties

JChem

Acid pKa

16.035471

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.1781187

LogD (pH = 7.4)

3.1781187

Log P

3.1781187

Molar Refractivity

61.597

Polarizability

25.145044

Polar Surface Area

17.07

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

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Molecule Details

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References

Bioactivity