Molecule

ID:57182

General Information

Structure

MolImage

Molecular Formula

C₄H₅N₃O₃

Molecular Mass

143.1008

Exact Mass

143.03309104

Charge

0

InChI

InChI=1S/C4H5N3O3/c8-3-6-2-4(1-5-6)7(9)10/h1-2,8H,3H2

InChIKey

PTLSNHXQTWDNMZ-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cn(nc1)CO

Isomeric Smiles

c1(cnn(c1)CO)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

12.965519

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-0.23891173

LogD (pH = 7.4)

-0.2389122

Log P

-0.238911

Molar Refractivity

43.3879

Polarizability

11.700631

Polar Surface Area

83.87

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