Molecule

ID:9834

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO₂S
Molecular Mass
232.72702
Exact Mass
232.03247834
Charge
0
InChI
InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3
InChIKey
YEZADZMMVHWFIY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)S(=O)(=O)Cl)(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(C(C)(C)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.464605
LogD (pH = 7.4)
3.464605
Log P
3.464605
Molar Refractivity
58.9181
Polarizability
23.647596
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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