Molecule

ID:11520

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O₂
Molecular Mass
254.7127
Exact Mass
254.08220541
Charge
0
InChI
InChI=1S/C12H15ClN2O2/c13-9-12(16)14-10-1-3-11(4-2-10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKey
WNCPYARGOVXDAO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)N1CCOCC1
Isomeric Smiles
N1(c2ccc(NC(=O)CCl)cc2)CCOCC1
Calculated Properties
JChem
Acid pKa
14.809024
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6378285
LogD (pH = 7.4)
1.6378433
Log P
1.6378434
Molar Refractivity
69.1773
Polarizability
25.534628
Polar Surface Area
41.57
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