Molecule

ID:128877

General Information
Structure
MolImage
Molecular Formula
C₂₂F₁₄
Molecular Mass
530.2130448
Exact Mass
529.97764508
Charge
0
InChI
InChI=1S/C22F14/c23-9-1-2(12(26)6-5(11(1)25)15(29)19(33)20(34)16(6)30)10(24)4-3(9)13(27)7-8(14(4)28)18(32)22(36)21(35)17(7)31
InChIKey
AZVQGIPHTOBHAF-UHFFFAOYSA-N
Canonic Smiles
Fc1c2c(c(c3c1c(F)c1c(c3F)c(F)c(c(c1F)F)F)F)c(F)c1c(c2F)c(F)c(c(c1F)F)F
Isomeric Smiles
c12c(c(c3c(c1F)c(c1c(c3F)c(c(c(c1F)F)F)F)F)F)c(c1c(c2F)c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.92898
LogD (pH = 7.4)
7.92898
Log P
7.92898
Molar Refractivity
94.8884
Polarizability
36.984497
Polar Surface Area
0.0
Rotatable Bonds
0
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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