Molecule

ID:120940

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(9-12-5-2-1-3-6-12)15-14(13)7-4-8-16-15/h1-8,10-11H,9H2
InChIKey
NDDGBIJCCYTIJA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccn2)Cc1ccccc1
Isomeric Smiles
n1(c2c(c(c1)C=O)cccn2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8775623
LogD (pH = 7.4)
2.882387
Log P
2.882449
Molar Refractivity
71.0335
Polarizability
27.254028
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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