Molecule

ID:74285

General Information
Structure
MolImage
Molecular Formula
C₆HCl₅S
Molecular Mass
282.40214
Exact Mass
279.82415943
Charge
0
InChI
InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
LLMLGZUZTFMXSA-UHFFFAOYSA-N
Canonic Smiles
Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.8479412
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.8535013
LogD (pH = 7.4)
3.663553
Log P
5.0866766
Molar Refractivity
58.0918
Polarizability
23.130888
Polar Surface Area
0.0
Rotatable Bonds
0
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