Molecule

ID:111200

General Information

Structure

MolImage

Molecular Formula

C₄H₄K₂O₄

Molecular Mass

194.26876

Exact Mass

193.93837197

Charge

0

InChI

InChI=1S/C4H6O4.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2

InChIKey

CVOQYKPWIVSMDC-UHFFFAOYSA-L

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

3.5541666

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-2.5536554

LogD (pH = 7.4)

-5.4738803

Log P

-0.39848298

Molar Refractivity

45.2112

Polarizability

9.14473

Polar Surface Area

80.26

Rotatable Bonds

3

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