Molecule
ID:40339
General Information
Molecular Formula
C₁₇H₁₅F₅O₃S
Molecular Mass
394.356216
Exact Mass
394.06620644
Charge
0
InChI
InChI=1S/C17H15F5O3S/c1-6-7(2)9(4)17(10(5)8(6)3)26(23,24)25-16-14(21)12(19)11(18)13(20)15(16)22/h1-5H3
InChIKey
JGEDRIPJERBADH-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F)C)C
Isomeric Smiles
S(=O)(=O)(c1c(c(c(c(c1C)C)C)C)C)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4706883
LogD (pH = 7.4)
6.4706883
Log P
6.4706883
Molar Refractivity
87.2284
Polarizability
32.37052
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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