Molecule
ID:37570
General Information
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c11-6-7-5-9-8-3-1-2-4-10(7)8/h1-6H
InChIKey
KIMZVDLDHKECSU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc2n1cccc2
Isomeric Smiles
n12c(cnc1cccc2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.27563316
LogD (pH = 7.4)
0.39032713
Log P
0.3920529
Molar Refractivity
42.3979
Polarizability
15.18889
Polar Surface Area
34.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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