Molecule

ID:98212

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆F₁₂O₂
Molecular Mass
410.1556784
Exact Mass
410.01761807
Charge
0
InChI
InChI=1S/C12H6F12O2/c13-3-5(15)8(26-2-12(23,24)10(19)20)6(16)4(14)7(3)25-1-11(21,22)9(17)18/h9-10H,1-2H2
InChIKey
KODPYAMOXMFQBV-UHFFFAOYSA-N
Canonic Smiles
FC(C(COc1c(F)c(F)c(c(c1F)F)OCC(C(F)F)(F)F)(F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)OCC(C(F)F)(F)F)F)F)CC(C(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.562668
LogD (pH = 7.4)
4.562668
Log P
4.562668
Molar Refractivity
58.3068
Polarizability
21.940256
Polar Surface Area
18.46
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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