Molecule

ID:76810

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₄O₄
Molecular Mass
172.09896
Exact Mass
172.02325463
Charge
0
InChI
InChI=1S/C4H4N4O4/c1-12-4(9)2-3(8(10)11)6-7-5-2/h1H3,(H,5,6,7)
InChIKey
VZOGVAWHFFOYNM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1n[nH]nc1C(=O)OC
Isomeric Smiles
[N+](=O)(c1n[nH]nc1C(=O)OC)[O-]
Calculated Properties
JChem
Acid pKa
7.961688
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.22403793
LogD (pH = 7.4)
0.12311186
Log P
0.22549869
Molar Refractivity
37.9655
Polarizability
12.99775
Polar Surface Area
113.69
Rotatable Bonds
3
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
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References
Bioactivity
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