Molecule

ID:37944

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₂
Molecular Mass
113.07482
Exact Mass
113.02252635
Charge
0
InChI
InChI=1S/C3H3N3O2/c7-6(8)5-3-1-2-4-5/h1-3H
InChIKey
TYNVOQYGXDUHRX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)n1cccn1
Isomeric Smiles
[N+](=O)(n1nccc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.49814
LogD (pH = 7.4)
-1.49814
Log P
-1.49814
Molar Refractivity
25.554
Polarizability
8.876493
Polar Surface Area
60.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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