Molecule

ID:12116

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈F₂₀O₂
Molecular Mass
600.190884
Exact Mass
600.0204939
Charge
0
InChI
InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
InChIKey
PUCOLQDJAFBFDR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.079845
LogD (pH = 7.4)
8.079845
Log P
8.079845
Molar Refractivity
72.99
Polarizability
28.556044
Polar Surface Area
26.3
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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