Molecule
ID:39863
General Information
Molecular Formula
C₁₃H₄F₈O₃S
Molecular Mass
392.2212856
Exact Mass
391.97534075
Charge
0
InChI
InChI=1S/C13H4F8O3S/c14-7-8(15)10(17)12(11(18)9(7)16)24-25(22,23)6-3-1-2-5(4-6)13(19,20)21/h1-4H
InChIKey
UPUKINIZGPNNNQ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)c2cccc(c2)C(F)(F)F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(cccc(c1)C(F)(F)F)S(=O)(=O)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.78143
LogD (pH = 7.4)
4.78143
Log P
4.78143
Molar Refractivity
67.9961
Polarizability
25.480526
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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