Molecule

ID:67972

General Information

Structure

Molecular Formula

C₁₀H₉NO₂

Molecular Mass

175.18396

Exact Mass

175.06332853

Charge

0

InChI

InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)9(12)5-10(13)11-8/h2-5H,1H3,(H2,11,12,13)

InChIKey

OXSZQTDCCMODLE-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(c1)c(O)cc(n2)O

Isomeric Smiles

n1c(cc(c2cc(ccc12)C)O)O

Calculated Properties

JChem

Acid pKa

7.472464

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

2.627113

LogD (pH = 7.4)

2.3717022

Log P

2.6316488

Molar Refractivity

49.2958

Polarizability

19.920557

Polar Surface Area

53.35

Rotatable Bonds

0

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