Molecule

ID:97231

General Information
Structure
MolImage
Molecular Formula
C₃H₄FNaO₄
Molecular Mass
146.0496332
Exact Mass
145.99913111
Charge
0
InChI
InChI=1S/C3H3FO3.Na.H2O/c4-1-2(5)3(6)7;;/h1H2,(H,6,7);;1H2/q;+1;/p-1
InChIKey
HDSZBLZMLDQKRW-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(=O)CF.O.[Na+]
Isomeric Smiles
FCC(=O)C(=O)[O-].[Na+].O
Calculated Properties
JChem
Acid pKa
2.4828784
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.7614243
LogD (pH = 7.4)
-3.3723216
Log P
0.13971768
Molar Refractivity
28.8369
Polarizability
6.8783174
Polar Surface Area
57.2
Rotatable Bonds
2
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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