Molecule

ID:9051

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₃O₂S
Molecular Mass
245.51082
Exact Mass
243.89193338
Charge
0
InChI
InChI=1S/C6H3Cl3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKey
FDTPBIKNYWQLAE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)S(=O)(=O)Cl
Isomeric Smiles
c1c(cc(c(c1)S(=O)(=O)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.127638
LogD (pH = 7.4)
3.127638
Log P
3.127638
Molar Refractivity
49.8618
Polarizability
20.364145
Polar Surface Area
34.14
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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