Molecule

ID:86364

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₄N₂S
Molecular Mass
376.08784
Exact Mass
373.90057992
Charge
0
InChI
InChI=1S/C14H6Cl4N2S/c15-9-2-1-7(3-10(9)16)11-6-21-14(19-11)8-4-12(17)20-13(18)5-8/h1-6H
InChIKey
GXEOOYHBYZQPKP-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1scc(n1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.328707
LogD (pH = 7.4)
6.328745
Log P
6.3287454
Molar Refractivity
100.3171
Polarizability
36.104454
Polar Surface Area
25.78
Rotatable Bonds
2
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