Molecule

ID:100238

General Information
Structure
MolImage
Molecular Formula
C₂₁H₆F₂₆N₂
Molecular Mass
780.2442232
Exact Mass
780.01158192
Charge
0
InChI
InChI=1S/C21H6F26N2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)8-6-9(49(48-8)7-4-2-1-3-5-7)11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h1-6H
InChIKey
KDCNVIFJBJGTKN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nn(c(c1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1)F
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
11.127039
LogD (pH = 7.4)
11.12704
Log P
11.12704
Molar Refractivity
102.5526
Polarizability
38.383396
Polar Surface Area
17.82
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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