Molecule

ID:104185

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O
Molecular Mass
276.33244
Exact Mass
276.12626314
Charge
0
InChI
InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3
InChIKey
VRZJGENLTNRAIG-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)/N=C/1\C=CC(=O)c2c1cccc2)C
Isomeric Smiles
CN(C)c1ccc(cc1)/N=C/1\C=CC(=O)c2c1cccc2
Calculated Properties
JChem
Acid pKa
15.245712
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7429872
LogD (pH = 7.4)
3.7638478
Log P
3.7641203
Molar Refractivity
89.3574
Polarizability
31.908957
Polar Surface Area
32.67
Rotatable Bonds
2
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