Molecule

ID:98548

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇F₃O₄S₂
Molecular Mass
442.4717896
Exact Mass
442.05203568
Charge
0
InChI
InChI=1S/C20H17F3O4S2/c1-26-16-12-14-19(15-13-16)28(17-8-4-2-5-9-17,18-10-6-3-7-11-18)27-29(24,25)20(21,22)23/h2-15H,1H3
InChIKey
RXDHZQBHDPDICO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)OC)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.8878
LogD (pH = 7.4)
6.8878
Log P
6.8878
Molar Refractivity
104.4094
Polarizability
41.70703
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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