Molecule
ID:39866
General Information
Molecular Formula
C₁₆H₁₃F₅O₃S
Molecular Mass
380.329636
Exact Mass
380.05055638
Charge
0
InChI
InChI=1S/C16H13F5O3S/c1-16(2,3)8-4-6-9(7-5-8)25(22,23)24-15-13(20)11(18)10(17)12(19)14(15)21/h4-7H,1-3H3
InChIKey
QXSDJYBIOYZRSO-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4486375
LogD (pH = 7.4)
5.4486375
Log P
5.4486375
Molar Refractivity
80.6883
Polarizability
30.842861
Polar Surface Area
43.37
Rotatable Bonds
4
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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