Molecule
ID:99183
General Information
Molecular Formula
C₁₈F₁₄O₂
Molecular Mass
514.1690448
Exact Mass
513.96747432
Charge
0
InChI
InChI=1S/C18F14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28
InChIKey
QUYRBEDFNGXEQH-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Oc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)Oc1c(F)c(F)c(c(c1F)F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)Oc1c(c(c(c(c1F)F)F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9716473
LogD (pH = 7.4)
6.9716473
Log P
6.9716473
Molar Refractivity
81.5692
Polarizability
29.218103
Polar Surface Area
18.46
Rotatable Bonds
4
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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