Molecule
ID:12102
General Information
Molecular Formula
C₁₅H₉F₁₅O₃S
Molecular Mass
554.271208
Exact Mass
554.00328845
Charge
0
InChI
InChI=1S/C15H9F15O3S/c1-7-2-4-8(5-3-7)34(31,32)33-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,6H2,1H3
InChIKey
OTZYGTLBGUNRBX-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)F
Isomeric Smiles
S(=O)(=O)(OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.2044873
LogD (pH = 7.4)
7.2044873
Log P
7.2044873
Molar Refractivity
79.6621
Polarizability
30.806458
Polar Surface Area
43.37
Rotatable Bonds
10
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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