Molecule

ID:111045

General Information

Structure

MolImage

Molecular Formula

C₅H₃KO₃

Molecular Mass

150.17382

Exact Mass

149.97192564

Charge

0

InChI

InChI=1S/C5H4O3.K/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1

InChIKey

LWYJTCLDMYROHH-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)c1ccco1.[K+]

Isomeric Smiles

[K+].[O-]C(=O)c1ccco1

Calculated Properties

JChem

Acid pKa

3.1211095

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-1.6599585

LogD (pH = 7.4)

-2.767246

Log P

0.6910754

Molar Refractivity

36.5422

Polarizability

9.548929

Polar Surface Area

53.27

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