Molecule

ID:33706

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂
Molecular Mass
113.07482
Exact Mass
113.02252635
Charge
0
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
InChIKey
MZRUFMBFIKGOAL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc[nH]n1
Isomeric Smiles
c1([N+](=O)[O-])n[nH]cc1
Calculated Properties
JChem
Acid pKa
12.459578
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.81187147
LogD (pH = 7.4)
0.8118678
Log P
0.8118715
Molar Refractivity
26.3794
Polarizability
9.195453
Polar Surface Area
71.82
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
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