Molecule

ID:12190

General Information

Structure

MolImage

Molecular Formula

C₇H₄FNaO₂

Molecular Mass

162.0936332

Exact Mass

162.00930187

Charge

0

InChI

InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1

InChIKey

BXUFZAPBZADONQ-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)c1ccc(cc1)F.[Na+]

Isomeric Smiles

c1c(ccc(c1)C(=O)[O-])F.[Na+]

Calculated Properties

JChem

Acid pKa

4.21855

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.47238514

LogD (pH = 7.4)

-1.2472186

Log P

1.7735306

Molar Refractivity

44.3677

Polarizability

12.317067

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