Molecule

ID:76809

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
129.07422
Exact Mass
129.01744097
Charge
0
InChI
InChI=1S/C3H3N3O3/c1-2-3(6(7)8)5-9-4-2/h1H3
InChIKey
QSRKLFPDTLSZOE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1nonc1C
Isomeric Smiles
n1c([N+](=O)[O-])c(no1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.22790298
LogD (pH = 7.4)
0.22790298
Log P
0.22790298
Molar Refractivity
28.6583
Polarizability
9.4623375
Polar Surface Area
84.74
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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