Molecule

ID:108486

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₈N₂O₂
Molecular Mass
342.39052
Exact Mass
342.13682783
Charge
0
InChI
InChI=1S/C22H18N2O2/c1-13-7-9-14(10-8-13)24-18-12-11-17(23-2)19-20(18)22(26)16-6-4-3-5-15(16)21(19)25/h3-12,23-24H,1-2H3
InChIKey
ITYXXSSJBOAGAR-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
Isomeric Smiles
CNc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O
Calculated Properties
JChem
Acid pKa
19.821344
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
6.28917
LogD (pH = 7.4)
6.2947598
Log P
6.2948313
Molar Refractivity
104.8722
Polarizability
38.7953
Polar Surface Area
58.2
Rotatable Bonds
3
Lipinski's Rule of Five
false
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