Molecule

ID:52781

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₂S
Molecular Mass
191.63534
Exact Mass
190.98077712
Charge
0
InChI
InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey
GILVNZWYCBUGMT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)Cl
Isomeric Smiles
c1c(nc(s1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0921881
LogD (pH = 7.4)
2.0921881
Log P
2.0921881
Molar Refractivity
42.6942
Polarizability
16.554327
Polar Surface Area
39.19
Rotatable Bonds
3
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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