Molecule

ID:8007

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₂O₂

Molecular Mass

212.24388

Exact Mass

212.08372962

Charge

0

InChI

InChI=1S/C14H12O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

InChIKey

FPHVRPCVNPHPBH-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccc(cc1)Cc1ccccc1

Isomeric Smiles

C(=O)(c1ccc(Cc2ccccc2)cc1)O

Calculated Properties

JChem

Acid pKa

4.1876416

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.3922346

LogD (pH = 7.4)

0.68079567

Log P

3.7226226

Molar Refractivity

63.0514

Polarizability

24.013912

Polar Surface Area

37.3

Rotatable Bonds

3

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