Molecule

ID:82521

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₂S₂
Molecular Mass
272.77096
Exact Mass
271.97324921
Charge
0
InChI
InChI=1S/C11H9ClO2S2/c1-8-6-15-7-11(8)16(13,14)10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKey
BTQFGBGTXZGTPE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)c1cscc1C
Isomeric Smiles
S(=O)(=O)(c1cscc1C)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8259885
LogD (pH = 7.4)
3.8259885
Log P
3.8259885
Molar Refractivity
66.542
Polarizability
26.725754
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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