Molecule
ID:98419
General Information
Molecular Formula
C₂HF₂LiO₂
Molecular Mass
101.9659464
Exact Mass
102.01046526
Charge
0
InChI
InChI=1S/C2H2F2O2.Li/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
InChIKey
NMDVDVNJDCUBDD-UHFFFAOYSA-M
Canonic Smiles
FC(C(=O)[O-])F.[Li+]
Isomeric Smiles
[O-]C(=O)C(F)F.[Li+]
Calculated Properties
JChem
Acid pKa
1.9955939
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.0245337
LogD (pH = 7.4)
-3.3323872
Log P
0.19132826
Molar Refractivity
23.6196
Polarizability
4.9656577
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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