Molecule

ID:10635

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃S
Molecular Mass
186.2282
Exact Mass
186.03506518
Charge
0
InChI
InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKey
LUECCFBGAJOLOX-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)S(=O)(=O)C
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)C)CO
Calculated Properties
JChem
Acid pKa
14.789361
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.04620459
LogD (pH = 7.4)
0.046204574
Log P
0.04620459
Molar Refractivity
46.8775
Polarizability
18.784136
Polar Surface Area
54.37
Rotatable Bonds
2
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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