Molecule

ID:33798

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c1-11-6-5-9-17-14(11)16-10-13(15(17)18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
VZAMRDJRQNUTKF-UHFFFAOYSA-N
Canonic Smiles
O=c1c(cnc2n1cccc2C)c1ccccc1
Isomeric Smiles
n12c(=O)c(cnc1c(ccc2)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6017025
LogD (pH = 7.4)
2.6017046
Log P
2.6017046
Molar Refractivity
71.7383
Polarizability
26.72982
Polar Surface Area
32.67
Rotatable Bonds
1
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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