Molecule
ID:97101
General Information
Molecular Formula
C₂₀H₁₈F₈O₆S₂
Molecular Mass
570.4705456
Exact Mass
570.04170606
Charge
0
InChI
InChI=1S/C20H18F8O6S2/c1-13-3-7-15(8-4-13)35(29,30)33-11-17(21,22)19(25,26)20(27,28)18(23,24)12-34-36(31,32)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
AUPIAASLCWDXDK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCC(C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.722115
LogD (pH = 7.4)
6.722115
Log P
6.722115
Molar Refractivity
109.111
Polarizability
43.01105
Polar Surface Area
86.74
Rotatable Bonds
11
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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