Molecule

ID:44677

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆Cl₃F₃O₃S
Molecular Mass
405.6041496
Exact Mass
403.90553275
Charge
0
InChI
InChI=1S/C13H6Cl3F3O3S/c14-7-5-9(15)12(10(16)6-7)22-23(20,21)11-4-2-1-3-8(11)13(17,18)19/h1-6H
InChIKey
TYRAJSOTUQONFN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)OS(=O)(=O)c1ccccc1C(F)(F)F
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)c1c(C(F)(F)F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.880054
LogD (pH = 7.4)
5.880054
Log P
5.880054
Molar Refractivity
81.3285
Polarizability
31.909742
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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