Molecule

ID:133988

General Information

Structure

MolImage

Molecular Formula

C₃H₂FNaO₃

Molecular Mass

128.0343532

Exact Mass

127.98856643

Charge

0

InChI

InChI=1S/C3H3FO3.Na/c4-1-2(5)3(6)7;/h1H2,(H,6,7);/q;+1/p-1

InChIKey

YEXRRCHQJDSEJI-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)C(=O)CF.[Na+]

Isomeric Smiles

C(C(=O)C(=O)[O-])F.[Na+]

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

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Molecular Spectra

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Molecule Details

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References

Bioactivity