Molecule

ID:51024

General Information

Structure

MolImage

Molecular Formula

C₅H₆N₂O₃

Molecular Mass

142.11274

Exact Mass

142.03784206

Charge

0

InChI

InChI=1S/C5H6N2O3/c8-3-4-1-5(2-6-4)7(9)10/h1-2,6,8H,3H2

InChIKey

MVRVBUWEIJAYLK-UHFFFAOYSA-N

Canonic Smiles

OCc1[nH]cc(c1)[N+](=O)[O-]

Isomeric Smiles

c1([N+](=O)[O-])cc([nH]c1)CO

Calculated Properties

JChem

Acid pKa

12.108731

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

0.14576536

LogD (pH = 7.4)

0.1457573

Log P

0.14576547

Molar Refractivity

34.8349

Polarizability

12.494811

Polar Surface Area

81.84

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