Molecule

ID:43376

General Information
Structure
Molecular Formula
C₈H₇ClO₃S
Molecular Mass
218.65738
Exact Mass
217.98044276
Charge
0
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKey
RVWYPBARHGPULM-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)CCO2
Isomeric Smiles
S(=O)(=O)(c1cc2c(OCC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.801766
LogD (pH = 7.4)
1.801766
Log P
1.801766
Molar Refractivity
50.025
Polarizability
20.001532
Polar Surface Area
43.37
Rotatable Bonds
1
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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