Molecule

ID:60441

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂
Molecular Mass
113.07482
Exact Mass
113.02252635
Charge
0
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKey
YZEUHQHUFTYLPH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ncc[nH]1
Isomeric Smiles
[N+](=O)(c1ncc[nH]1)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
0.32
LogD (pH = 5.5)
0.48
Log P
0.48
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.74
Polar Surface Area
71.82
Polarizability
9.02
Molar Refractivity
24.81
LOG S
-1.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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