Molecule

ID:93028

General Information
Structure
Molecular Formula
C₁₂H₈N₂O
Molecular Mass
196.20472
Exact Mass
196.06366289
Charge
0
InChI
InChI=1S/C12H8N2O/c15-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13-14/h1-8H
InChIKey
JFIBBBQSFGWTPH-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1nc2ccccc2c2c1cccc2
Isomeric Smiles
[n+]1(nc2ccccc2c2ccccc12)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6214657
LogD (pH = 7.4)
2.6224425
Log P
2.622455
Molar Refractivity
67.4565
Polarizability
24.144075
Polar Surface Area
39.83
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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