Molecule

ID:99028

General Information
Structure
MolImage
Molecular Formula
C₈F₁₇LiO₂
Molecular Mass
457.9982544
Exact Mass
457.97868853
Charge
0
InChI
InChI=1S/C8F17O2.Li/c9-2(10,1(26,4(12,13)14)5(15,16)17)8(24,25)27-3(11,6(18,19)20)7(21,22)23;/q-1;+1
InChIKey
OGZFPKBIAYMEEI-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(OC(C(C(C(F)(F)F)(C(F)(F)F)[O-])(F)F)(F)F)F)(F)F.[Li+]
Isomeric Smiles
[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(OC(C(F)(F)F)(F)C(F)(F)F)F.[Li+]
Calculated Properties
JChem
Acid pKa
5.6978827
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2045765
LogD (pH = 7.4)
3.728287
Log P
5.4175634
Molar Refractivity
56.205
Polarizability
17.471354
Polar Surface Area
32.29
Rotatable Bonds
8
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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