Molecule
ID:6542
General Information
Molecular Formula
C₆H₃F₁₁O₃S
Molecular Mass
364.1336552
Exact Mass
363.96272538
Charge
0
InChI
InChI=1S/C6H3F11O3S/c7-2(8)4(11,12)5(13,14)3(9,10)1-20-21(18,19)6(15,16)17/h2H,1H2
InChIKey
STZVWKAVKFQLAU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(COS(=O)(=O)C(F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)(S(=O)(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.789526
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0942616
LogD (pH = 7.4)
4.0942616
Log P
4.0942616
Molar Refractivity
40.0286
Polarizability
16.962753
Polar Surface Area
43.37
Rotatable Bonds
7
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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