Molecule

ID:68085

General Information

Structure

MolImage

Molecular Formula

C₅H₅N₃O₂

Molecular Mass

139.1121

Exact Mass

139.03817642

Charge

0

InChI

InChI=1S/C5H5N3O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H,6H2

InChIKey

YRWMMPVSSQFMRQ-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cc(N)cnc1

Isomeric Smiles

c1c(cc(cn1)[N+](=O)[O-])N

Calculated Properties

JChem

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-0.13337119

LogD (pH = 7.4)

-0.13336842

Log P

-0.13336837

Molar Refractivity

34.922

Polarizability

12.528113

Polar Surface Area

82.05

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