Molecule

ID:18599

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₃S
Molecular Mass
220.67326
Exact Mass
219.99609283
Charge
0
InChI
InChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
ISBGBCOJYLFKKE-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CCOc1ccccc1
Isomeric Smiles
S(=O)(=O)(CCOc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6012616
LogD (pH = 7.4)
1.6012616
Log P
1.6012616
Molar Refractivity
50.7792
Polarizability
20.823563
Polar Surface Area
43.37
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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