Molecule

ID:11917

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₂O₃S
Molecular Mass
236.2357064
Exact Mass
236.03187162
Charge
0
InChI
InChI=1S/C9H10F2O3S/c1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11/h2-5,9H,6H2,1H3
InChIKey
ZUBSOOAAXYCXMN-UHFFFAOYSA-N
Canonic Smiles
FC(COS(=O)(=O)c1ccc(cc1)C)F
Isomeric Smiles
c1(ccc(cc1)C)S(=O)(=O)OCC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5118704
LogD (pH = 7.4)
2.5118704
Log P
2.5118704
Molar Refractivity
50.7644
Polarizability
20.232376
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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