Molecule

ID:97427

General Information
Structure
MolImage
Molecular Formula
C₂₀H₈F₃₄S₂
Molecular Mass
958.3532288
Exact Mass
957.95245174
Charge
0
InChI
InChI=1S/C20H8F34S2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-55-56-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2
InChIKey
PFSDZNASIFXROJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCSSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)(F)C(C(C(C(C(F)(F)C(C(CCSSCCC(C(C(F)(F)C(F)(F)C(F)(F)C(F)(C(C(F)(F)F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
13.558404
LogD (pH = 7.4)
13.558404
Log P
13.558404
Molar Refractivity
112.2474
Polarizability
43.395405
Polar Surface Area
0.0
Rotatable Bonds
21
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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