Molecule

ID:19214

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₃S
Molecular Mass
260.73712
Exact Mass
260.02739296
Charge
0
InChI
InChI=1S/C11H13ClO3S/c12-16(13,14)11-7-5-10(6-8-11)15-9-3-1-2-4-9/h5-9H,1-4H2
InChIKey
JXLFMLDWSZWHCB-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)OC1CCCC1
Isomeric Smiles
S(=O)(=O)(c1ccc(OC2CCCC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1165795
LogD (pH = 7.4)
3.1165795
Log P
3.1165795
Molar Refractivity
63.1286
Polarizability
25.551018
Polar Surface Area
43.37
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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