Molecule

ID:105458

General Information

Structure

MolImage

Molecular Formula

C₂HF₃NaO₂

Molecular Mass

137.0131196

Exact Mass

136.98263321

Charge

0

InChI

InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);

InChIKey

UKXIHEBXRGRYQF-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(F)(F)F.[Na]

Isomeric Smiles

[Na].OC(=O)C(F)(F)F

Calculated Properties

JChem

Acid pKa

0.9503416

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.5809014

LogD (pH = 7.4)

-2.6199632

Log P

0.90898293

Molar Refractivity

13.653899

Polarizability

5.227252

Polar Surface Area

37.3

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