Molecule

ID:80559

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂O₂S₂
Molecular Mass
234.68322
Exact Mass
233.93244703
Charge
0
InChI
InChI=1S/C6H3ClN2O2S2/c7-13(10,11)4-1-2-5-6(3-4)9-12-8-5/h1-3H
InChIKey
PFLLNLOVUWBRRX-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)nsn2
Isomeric Smiles
s1nc2cc(ccc2n1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0631778
LogD (pH = 7.4)
2.0631778
Log P
2.0631778
Molar Refractivity
50.7346
Polarizability
20.9408
Polar Surface Area
59.92
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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