Molecule

ID:93134

General Information
Structure
MolImage
Molecular Formula
C₂₂H₆F₂₆N₂O
Molecular Mass
808.2543232
Exact Mass
808.00649654
Charge
0
InChI
InChI=1S/C22H6F26N2O/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)8-6-9(50(49-8)10(51)7-4-2-1-3-5-7)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H
InChIKey
IPYGQAQYTYRSSI-UHFFFAOYSA-N
Canonic Smiles
O=C(n1nc(cc1C(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)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)n1c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
10.519389
LogD (pH = 7.4)
10.519389
Log P
10.519389
Molar Refractivity
107.8191
Polarizability
39.82979
Polar Surface Area
34.89
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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