Molecule

ID:12534

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉ClN₂O₂
Molecular Mass
342.81936
Exact Mass
342.11350554
Charge
0
InChI
InChI=1S/C19H18N2O2.ClH/c22-19(23)17-11-14-13-8-4-5-9-15(13)21-18(14)16(20-17)10-12-6-2-1-3-7-12;/h1-9,16-17,20-21H,10-11H2,(H,22,23);1H
InChIKey
GOHZQEOGLTTWFF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NC(Cc2ccccc2)c2c(C1)c1ccccc1[nH]2.Cl
Isomeric Smiles
c1cc2c(cc1)c1c([nH]2)C(NC(C1)C(=O)O)Cc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
2.0720296
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.8837084
LogD (pH = 7.4)
0.8777115
Log P
0.88363016
Molar Refractivity
88.4473
Polarizability
35.58644
Polar Surface Area
65.12
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
暂无数据
点击上传数据
References
Bioactivity
Navigation