Molecule

ID:9343

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₁₇S
Molecular Mass
520.2484144
Exact Mass
520.01535103
Charge
0
InChI
InChI=1S/C13H9F17S/c1-2-4-31-5-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-5H2
InChIKey
VBSGTAMERRWOSX-UHFFFAOYSA-N
Canonic Smiles
C=CCSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(CCSCC=C)(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)
7.8771715
LogD (pH = 7.4)
7.8771715
Log P
7.8771715
Molar Refractivity
70.7307
Polarizability
26.599953
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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