Molecule
ID:35346
General Information
Molecular Formula
C₃H₄N₄O₂
Molecular Mass
128.08946
Exact Mass
128.03342539
Charge
0
InChI
InChI=1S/C3H4N4O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H3,4,5,6)
InChIKey
JWGYPTNGYXOXPV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn[nH]c1N
Isomeric Smiles
c1([N+](=O)[O-])c([nH]nc1)N
Calculated Properties
JChem
Acid pKa
8.369028
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.12714213
LogD (pH = 7.4)
0.08461319
Log P
0.12777905
Molar Refractivity
31.0238
Polarizability
10.363245
Polar Surface Area
100.52
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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