Molecule

ID:41153

General Information

Structure

MolImage

Molecular Formula

C₇H₉NO₂

Molecular Mass

139.15186

Exact Mass

139.06332853

Charge

0

InChI

InChI=1S/C7H9NO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4,8H2

InChIKey

WSEFOZIMAJPJHW-UHFFFAOYSA-N

Canonic Smiles

OCc1cc(N)ccc1O

Isomeric Smiles

c1(c(ccc(c1)N)O)CO

Calculated Properties

JChem

Acid pKa

10.78698

H Acceptors

3

H Donor

3

LogD (pH = 5.5)

-0.083559416

LogD (pH = 7.4)

0.07081653

Log P

0.073404774

Molar Refractivity

39.5552

Polarizability

14.534066

Polar Surface Area

66.48

Rotatable Bonds

1

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