Molecule

ID:8301

General Information
Structure
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Molecular Formula
C₇H₇ClO₂S
Molecular Mass
190.64728
Exact Mass
189.98552814
Charge
0
InChI
InChI=1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
OAHKWDDSKCRNFE-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)Cc1ccccc1
Isomeric Smiles
c1(ccccc1)CS(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
19.140215
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6816851
LogD (pH = 7.4)
1.6816851
Log P
1.6816851
Molar Refractivity
44.8396
Polarizability
18.268105
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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