Molecule

ID:35279

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c1-11-7-8-17-13(10-18)15(16-14(17)9-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
KWLLHQOGNBYLDD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccc(c2)C)c1ccccc1
Isomeric Smiles
n12c(nc(c1C=O)c1ccccc1)cc(cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.919932
LogD (pH = 7.4)
2.9383101
Log P
2.93855
Molar Refractivity
72.2033
Polarizability
27.951826
Polar Surface Area
34.37
Rotatable Bonds
2
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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