Molecule

ID:82377

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₄S
Molecular Mass
262.70994
Exact Mass
262.00665751
Charge
0
InChI
InChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKey
BKBFOPDOLZURHT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
8.249535
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8540807
LogD (pH = 7.4)
1.7974961
Log P
1.854852
Molar Refractivity
60.2197
Polarizability
24.579529
Polar Surface Area
60.44
Rotatable Bonds
5
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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