Molecule

ID:94091

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂F₈O₄S
Molecular Mass
395.0517856
Exact Mass
393.90796073
Charge
0
InChI
InChI=1S/C6H4Cl2F8O4S/c7-5(13,14)3(9,10)1-19-21(17,18)20-2-4(11,12)6(8,15)16/h1-2H2
InChIKey
XIKSGIRSWALSRN-UHFFFAOYSA-N
Canonic Smiles
FC(C(Cl)(F)F)(COS(=O)(=O)OCC(C(Cl)(F)F)(F)F)F
Isomeric Smiles
O(S(=O)(=O)OCC(C(Cl)(F)F)(F)F)CC(F)(C(Cl)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6392205
LogD (pH = 7.4)
3.6392205
Log P
3.6392205
Molar Refractivity
52.6412
Polarizability
21.399046
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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