Molecule

ID:56573

General Information
Structure
Molecular Formula
C₂₀H₁₇Cl₂NO₂
Molecular Mass
374.26048
Exact Mass
373.06363415
Charge
0
InChI
InChI=1S/C20H17Cl2NO2/c1-12(2)11-25-14-8-6-13(7-9-14)18-10-16(20(22)24)15-4-3-5-17(21)19(15)23-18/h3-10,12H,11H2,1-2H3
InChIKey
ZYJACRAKWGBVOA-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2)C
Isomeric Smiles
n1c2c(c(cc1c1ccc(OCC(C)C)cc1)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.045564
LogD (pH = 7.4)
6.045565
Log P
6.045565
Molar Refractivity
100.8704
Polarizability
41.577152
Polar Surface Area
39.19
Rotatable Bonds
5
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