Molecule

ID:83394

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O₄
Molecular Mass
184.10966
Exact Mass
184.02325463
Charge
0
InChI
InChI=1S/C5H4N4O4/c10-8(11)4-1-2-5(6-3-4)7-9(12)13/h1-3H,(H,6,7)
InChIKey
KKHVTUCQONFESC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)Nc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(Nc1ncc(cc1)[N+](=O)[O-])[O-]
Calculated Properties
JChem
Acid pKa
6.8920927
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.6366852
LogD (pH = 7.4)
0.16243814
Log P
0.6519416
Molar Refractivity
42.164
Polarizability
14.576612
Polar Surface Area
116.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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