Molecule

ID:8820

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₆O
Molecular Mass
284.1976192
Exact Mass
284.06358426
Charge
0
InChI
InChI=1S/C12H10F6O/c1-2-8-3-5-9(6-4-8)7-19-10(11(13,14)15)12(16,17)18/h2-6,10H,1,7H2
InChIKey
BCHKYDBUHXYDGK-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)COC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)COC(C(F)(F)F)C(F)(F)F)C=C
Calculated Properties
JChem
Acid pKa
15.08941
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.555684
LogD (pH = 7.4)
4.555684
Log P
4.555684
Molar Refractivity
57.8818
Polarizability
20.80706
Polar Surface Area
9.23
Rotatable Bonds
6
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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