Molecule

ID:117555

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₃S
Molecular Mass
260.73712
Exact Mass
260.02739296
Charge
0
InChI
InChI=1S/C11H13ClO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3
InChIKey
FWXJIFYXXJNDSI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1ccc(cc1)S(=O)(=O)C(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(CC(=O)Cl)cc1)C(C)C
Calculated Properties
JChem
Acid pKa
14.319142
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0623937
LogD (pH = 7.4)
2.0623937
Log P
2.0623937
Molar Refractivity
64.2291
Polarizability
25.647524
Polar Surface Area
51.21
Rotatable Bonds
4
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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