Molecule

ID:25784

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO₂S
Molecular Mass
232.72702
Exact Mass
232.03247834
Charge
0
InChI
InChI=1S/C10H13ClO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3
InChIKey
FNONSGOSEKJJGP-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)CC(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6091266
LogD (pH = 7.4)
3.6091266
Log P
3.6091266
Molar Refractivity
59.044
Polarizability
23.648851
Polar Surface Area
34.14
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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