Molecule

ID:112149

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₃KO₃S
Molecular Mass
299.60058
Exact Mass
297.84272964
Charge
0
InChI
InChI=1S/C6H3Cl3O3S.K/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/q;+1/p-1
InChIKey
DRPLRPSXUUSFOB-UHFFFAOYSA-M
Canonic Smiles
Clc1cc(c(cc1Cl)Cl)S(=O)(=O)[O-].[K+]
Isomeric Smiles
[K+].[O-]S(=O)(=O)c1c(Cl)cc(Cl)c(Cl)c1
Calculated Properties
JChem
Acid pKa
-3.613466
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.58988786
LogD (pH = 7.4)
0.5898878
Log P
2.9662867
Molar Refractivity
49.9732
Polarizability
20.810316
Polar Surface Area
57.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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