Molecule

ID:74010

General Information
Structure
Molecular Formula
C₉H₈N₄O₂
Molecular Mass
204.18542
Exact Mass
204.06472552
Charge
0
InChI
InChI=1S/C9H8N4O2/c1-5-4-6-7(11-10-5)2-3-8-9(6)12-15-13(8)14/h4H,2-3H2,1H3
InChIKey
KKRFMRZKDXIDQT-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc2c(c1)c1no[n+](c1CC2)[O-]
Isomeric Smiles
n1c2c3cc(nnc3CCc2[n+](o1)[O-])C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.8154196
LogD (pH = 7.4)
-0.8153015
Log P
-0.8153
Molar Refractivity
74.4295
Polarizability
19.721914
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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