Molecule

ID:86698

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₁Cl₃N₂OS
Molecular Mass
433.73814
Exact Mass
431.96576702
Charge
0
InChI
InChI=1S/C20H11Cl3N2OS/c21-14-3-1-12(2-4-14)17-11-27-20(24-17)13-9-18(23)25-19(10-13)26-16-7-5-15(22)6-8-16/h1-11H
InChIKey
SSKIVISLYUJSPO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1nc(Cl)cc(c1)c1scc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(c2cc(nc(c2)Oc2ccc(cc2)Cl)Cl)scc1c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.599231
LogD (pH = 7.4)
7.5992675
Log P
7.599268
Molar Refractivity
121.0053
Polarizability
44.420887
Polar Surface Area
35.01
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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