Molecule

ID:112288

General Information

Structure

MolImage

Molecular Formula

C₃H₂BaO₄

Molecular Mass

239.37258

Exact Mass

239.90055554

Charge

0

InChI

InChI=1S/C3H4O4.Ba/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2

InChIKey

NINLDBMTAAKRTR-UHFFFAOYSA-L

Canonic Smiles

[O-]C(=O)CC(=O)[O-].[Ba+2]

Isomeric Smiles

[Ba+2].[O-]C(=O)CC(=O)[O-]

Calculated Properties

JChem

Acid pKa

2.428424

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

-3.4132009

LogD (pH = 7.4)

-5.336086

Log P

-0.33111727

Molar Refractivity

40.662

Polarizability

7.372623

Polar Surface Area

80.26

Rotatable Bonds

2

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