Molecule

ID:9745

General Information
Structure
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Molecular Formula
C₇H₇ClO₂S
Molecular Mass
190.64728
Exact Mass
189.98552814
Charge
0
InChI
InChI=1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3
InChIKey
KFPMLWUKHQMEBU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
c1cc(cc(c1)S(=O)(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4329703
LogD (pH = 7.4)
2.4329703
Log P
2.4329703
Molar Refractivity
45.2934
Polarizability
18.157108
Polar Surface Area
34.14
Rotatable Bonds
1
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
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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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