Molecule
ID:82846
General Information
Molecular Formula
C₆H₂Cl₄S
Molecular Mass
247.95708
Exact Mass
245.86313178
Charge
0
InChI
InChI=1S/C6H2Cl4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
IUPWBUULPWMLDU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1Cl)S)Cl
Isomeric Smiles
Sc1c(c(cc(c1Cl)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
4.01729
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.3160424
LogD (pH = 7.4)
3.0609863
Log P
4.4826317
Molar Refractivity
53.287
Polarizability
21.100834
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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