Molecule

ID:76854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂S₂
Molecular Mass
258.74438
Exact Mass
257.95759914
Charge
0
InChI
InChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
NHRKTBLHJKMFTP-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)c1ccccc1
Isomeric Smiles
s1c(ccc1c1ccccc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5099182
LogD (pH = 7.4)
3.5099182
Log P
3.5099182
Molar Refractivity
61.4382
Polarizability
25.992115
Polar Surface Area
34.14
Rotatable Bonds
2
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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