Molecule

ID:90244

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClO₃S
Molecular Mass
194.63598
Exact Mass
193.98044276
Charge
0
InChI
InChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKey
PIXAQZAVANAGLE-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(c(c1)S(=O)(=O)Cl)C
Isomeric Smiles
o1c(c(S(=O)(=O)Cl)cc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.458917
LogD (pH = 7.4)
1.458917
Log P
1.458917
Molar Refractivity
43.065
Polarizability
16.927816
Polar Surface Area
47.28
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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