Molecule

ID:101111

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂O₂S₂
Molecular Mass
260.7205
Exact Mass
259.94809709
Charge
0
InChI
InChI=1S/C8H5ClN2O2S2/c9-15(12,13)7-3-1-6(2-4-7)8-5-14-11-10-8/h1-5H
InChIKey
IFHXVVWZBVKDQR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)c1csnn1
Isomeric Smiles
S(=O)(=O)(c1ccc(c2nnsc2)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5413616
LogD (pH = 7.4)
2.541362
Log P
2.541362
Molar Refractivity
59.3144
Polarizability
24.303085
Polar Surface Area
59.92
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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