Molecule

ID:6475

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆F₂₀O₂
Molecular Mass
562.142904
Exact Mass
562.00484383
Charge
0
InChI
InChI=1S/C12H6F20O2/c13-3(14,1-33)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2-34/h33-34H,1-2H2
InChIKey
MBKZIVRAOJBYDI-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(C(C(C(C(CO)(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(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
12.320049
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.797748
LogD (pH = 7.4)
5.797743
Log P
5.797748
Molar Refractivity
61.2336
Polarizability
24.41596
Polar Surface Area
40.46
Rotatable Bonds
11
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
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References
Bioactivity
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