Molecule

ID:7780

General Information

Structure

MolImage

Molecular Formula

C₈H₉NO₂

Molecular Mass

151.16256

Exact Mass

151.06332853

Charge

0

InChI

InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)

InChIKey

MAGPZHKLEZXLNU-UHFFFAOYSA-N

Canonic Smiles

OC(c1ccccc1)C(=O)N

Isomeric Smiles

c1cccc(c1)C(C(=O)N)O

Calculated Properties

JChem

Acid pKa

12.470764

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

0.08889298

LogD (pH = 7.4)

0.08888935

Log P

0.08889303

Molar Refractivity

40.526

Polarizability

15.837317

Polar Surface Area

63.32

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