Molecule

ID:72140

General Information

Structure

MolImage

Molecular Formula

C₅H₇N₃O₂

Molecular Mass

141.12798

Exact Mass

141.05382648

Charge

0

InChI

InChI=1S/C5H7N3O2/c1-4-3-5(8(9)10)6-7(4)2/h3H,1-2H3

InChIKey

KTPNKIOQKXHCMA-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1nn(c(c1)C)C

Isomeric Smiles

n1(c(cc(n1)[N+](=O)[O-])C)C

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.135109

LogD (pH = 7.4)

1.135109

Log P

1.135109

Molar Refractivity

47.7493

Polarizability

12.658824

Polar Surface Area

63.64

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