Molecule

ID:75795

General Information
Structure
Molecular Formula
C₈H₁₀O₄S
Molecular Mass
202.2276
Exact Mass
202.0299798
Charge
0
InChI
InChI=1S/C8H10O4S/c1-11-7-3-5-8(6-4-7)12-13(2,9)10/h3-6H,1-2H3
InChIKey
BZKNVCHUULQHAT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OS(=O)(=O)C
Isomeric Smiles
O=S(=O)(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.91787434
LogD (pH = 7.4)
0.91787434
Log P
0.91787434
Molar Refractivity
47.2546
Polarizability
19.586641
Polar Surface Area
52.6
Rotatable Bonds
3
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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