Molecule

ID:40640

General Information

Structure

MolImage

Molecular Formula

C₁₅H₁₀O₃

Molecular Mass

238.2381

Exact Mass

238.06299418

Charge

0

InChI

InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-9,16H

InChIKey

HDHPCXZMHILLOZ-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)c(co2)C(=O)c1ccccc1

Isomeric Smiles

c1(c2c(oc1)ccc(c2)O)C(=O)c1ccccc1

Calculated Properties

JChem

Acid pKa

8.999932

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

3.2880204

LogD (pH = 7.4)

3.2774506

Log P

3.288157

Molar Refractivity

67.4555

Polarizability

26.977472

Polar Surface Area

50.44

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