Molecule

ID:74190

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₄O₂
Molecular Mass
202.16954
Exact Mass
202.04907545
Charge
0
InChI
InChI=1S/C9H6N4O2/c1-5-4-6-7(11-10-5)2-3-8-9(6)12-15-13(8)14/h2-4H,1H3
InChIKey
MKUGOLLPGZDMOE-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc2c(c1)c1no[n+](c1cc2)[O-]
Isomeric Smiles
n1c2c([n+](o1)[O-])ccc1c2cc(nn1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.009940428
LogD (pH = 7.4)
0.010887907
Log P
0.0109
Molar Refractivity
73.8113
Polarizability
20.956789
Polar Surface Area
77.27
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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