Molecule

ID:106705

General Information
Structure
MolImage
Molecular Formula
C₂H₂FNaO₂
Molecular Mass
100.0242532
Exact Mass
99.99365181
Charge
0
InChI
InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKey
JGFYQVQAXANWJU-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CF.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)CF
Calculated Properties
JChem
Acid pKa
3.128982
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.4932117
LogD (pH = 7.4)
-3.6066246
Log P
-0.14950198
Molar Refractivity
23.4909
Polarizability
4.886084
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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