Molecule

ID:108363

General Information

Structure

MolImage

Molecular Formula

B₂BaH₆O₆

Molecular Mass

260.99304

Exact Mass

261.94029571

Charge

0

InChI

InChI=1S/2BO2.Ba.2H2O/c2*2-1-3;;;/h;;;2*1H2/q2*-1;+2;;

InChIKey

NKRGSMDYMRIRNY-UHFFFAOYSA-N

Canonic Smiles

[O-][BH]=O.[O-][BH]=O.O.O.[Ba+2]

Isomeric Smiles

O.O.[Ba+2].[O-][BH]=O.[O-][BH]=O

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.0514

LogD (pH = 7.4)

-2.0514

Log P

0.2124

Molar Refractivity

2.8858

Polarizability

2.9952743

Polar Surface Area

40.13

Rotatable Bonds

0

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