Molecule

ID:28914

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉Cl₂NO₂
Molecular Mass
388.28706
Exact Mass
387.07928421
Charge
0
InChI
InChI=1S/C21H19Cl2NO2/c22-17-12-18(23)14-19(13-17)24-15-16-5-4-8-21(11-16)26-10-9-25-20-6-2-1-3-7-20/h1-8,11-14,24H,9-10,15H2
InChIKey
SWHKVCHXYZYCOL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(NCc2cccc(c2)OCCOc2ccccc2)cc(c1)Cl
Isomeric Smiles
c1(cc(cc(c1)Cl)Cl)NCc1cc(OCCOc2ccccc2)ccc1
Calculated Properties
JChem
Acid pKa
19.522215
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.8638725
LogD (pH = 7.4)
5.864951
Log P
5.864965
Molar Refractivity
107.4894
Polarizability
41.261868
Polar Surface Area
30.49
Rotatable Bonds
8
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
暂无数据
点击上传数据
References
Bioactivity
Navigation