Molecule

ID:6517

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₇O₃S
Molecular Mass
354.2411824
Exact Mass
354.01606269
Charge
0
InChI
InChI=1S/C11H9F7O3S/c1-7-2-4-8(5-3-7)22(19,20)21-6-9(12,13)10(14,15)11(16,17)18/h2-5H,6H2,1H3
InChIKey
NVBRUIASHQWABC-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)F
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4019165
LogD (pH = 7.4)
4.4019165
Log P
4.4019165
Molar Refractivity
60.9901
Polarizability
23.542545
Polar Surface Area
43.37
Rotatable Bonds
6
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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