Molecule

ID:24620

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O
Molecular Mass
248.27928
Exact Mass
248.09496301
Charge
0
InChI
InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H
InChIKey
LZGBMIZREYTWRI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1n(cc(c1c1ccccc1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8046312
LogD (pH = 7.4)
3.8046422
Log P
3.8046424
Molar Refractivity
75.7679
Polarizability
30.35746
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation