Molecule

ID:74683

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₄S₂
Molecular Mass
266.72178
Exact Mass
265.94742838
Charge
0
InChI
InChI=1S/C8H7ClO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2
InChIKey
OTTLGROTQDMDSE-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2
Isomeric Smiles
S1(=O)(=O)c2c(ccc(c2)S(=O)(=O)Cl)CC1
Calculated Properties
JChem
Acid pKa
18.90118
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9519351
LogD (pH = 7.4)
0.9519351
Log P
0.9519351
Molar Refractivity
57.4824
Polarizability
23.617268
Polar Surface Area
68.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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