Molecule

ID:99704

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClF₃O₄S₂
Molecular Mass
384.7784296
Exact Mass
383.95046308
Charge
0
InChI
InChI=1S/C13H8ClF3O4S2/c1-21-12(18)9-10(23(14,19)20)8(7-5-3-2-4-6-7)11(22-9)13(15,16)17/h2-6H,1H3
InChIKey
QTEYQFWTRAYGTC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1S(=O)(=O)Cl)c1ccccc1)C(F)(F)F
Isomeric Smiles
s1c(c(c2ccccc2)c(c1C(=O)OC)S(=O)(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4934206
LogD (pH = 7.4)
4.4934206
Log P
4.4934206
Molar Refractivity
80.0614
Polarizability
31.788502
Polar Surface Area
60.44
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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