Molecule

ID:74189

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₄O
Molecular Mass
186.17014
Exact Mass
186.05416083
Charge
0
InChI
InChI=1S/C9H6N4O/c1-5-4-10-11-6-2-3-7-9(8(5)6)13-14-12-7/h2-4H,1H3
InChIKey
NBNRXKLMMDXGPS-UHFFFAOYSA-N
Canonic Smiles
Cc1cnnc2c1c1nonc1cc2
Isomeric Smiles
n1c2c(no1)ccc1c2c(cnn1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0143561
LogD (pH = 7.4)
1.0145718
Log P
1.0145746
Molar Refractivity
50.9606
Polarizability
20.476625
Polar Surface Area
64.7
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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