Molecule

ID:105671

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₂
Molecular Mass
308.3743
Exact Mass
308.15247789
Charge
0
InChI
InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKey
OFCLARYYBGKCHN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)c1ccccc1
Isomeric Smiles
COc1cc2c([nH]c(c2CCNC(=O)C)c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
15.123458
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7148392
LogD (pH = 7.4)
2.7148392
Log P
2.7148392
Molar Refractivity
91.2936
Polarizability
37.650074
Polar Surface Area
54.12
Rotatable Bonds
5
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