Molecule

ID:34076

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c18-11-13-10-17(9-12-4-3-7-16-8-12)15-6-2-1-5-14(13)15/h1-8,10-11H,9H2
InChIKey
IZVHSPWRENAINT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1cccnc1
Isomeric Smiles
c1cccc2c1n(cc2C=O)Cc1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3448133
LogD (pH = 7.4)
2.5122213
Log P
2.514987
Molar Refractivity
71.0809
Polarizability
27.934334
Polar Surface Area
34.89
Rotatable Bonds
3
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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