Molecule

ID:128623

General Information

Structure

MolImage

Molecular Formula

C₃H₃N₃O₂

Molecular Mass

113.07482

Exact Mass

113.02252635

Charge

0

InChI

InChI=1S/C3H3N3O2/c7-6(8)5-2-1-4-3-5/h1-3H

InChIKey

KUNMIWQQOPACSS-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)n1cncc1

Isomeric Smiles

c1cn(cn1)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-0.34501556

LogD (pH = 7.4)

-0.34163237

Log P

-0.34158894

Molar Refractivity

25.8256

Polarizability

8.878348

Polar Surface Area

63.64

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity