Molecule

ID:58273

General Information
Structure
MolImage
Molecular Formula
C₂H₂N₄O₂
Molecular Mass
114.06288
Exact Mass
114.01777532
Charge
0
InChI
InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
InChIKey
KUEFXPHXHHANKS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1n[nH]cn1
Isomeric Smiles
c1([N+](=O)[O-])nc[nH]n1
Calculated Properties
JChem
Acid pKa
9.703439
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.20965375
LogD (pH = 7.4)
0.20757015
Log P
0.20968038
Molar Refractivity
25.186
Polarizability
8.4463
Polar Surface Area
84.71
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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