Molecule

ID:98170

General Information
Structure
MolImage
Molecular Formula
C₃H₂FNaO₂
Molecular Mass
112.0349532
Exact Mass
111.99365181
Charge
0
InChI
InChI=1S/C3H3FO2.Na/c4-3(1-5)2-6;/h1-2,5H;/q;+1/p-1
InChIKey
FYHVZCYRLJSBIL-UHFFFAOYSA-M
Canonic Smiles
[O-]/C=C(/C=O)\F.[Na+]
Isomeric Smiles
F/C(=C\[O-])/C=O.[Na+]
Calculated Properties
JChem
Acid pKa
6.8351254
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.30809093
LogD (pH = 7.4)
-0.9574816
Log P
-0.28847185
Molar Refractivity
29.0969
Polarizability
6.372072
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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