Molecule

ID:107806

General Information
Structure
MolImage
Molecular Formula
C₄H₂BaO₆
Molecular Mass
283.38208
Exact Mass
283.89038478
Charge
0
InChI
InChI=1S/2C2H2O3.Ba/c2*3-1-2(4)5;/h2*1H,(H,4,5);/q;;+2/p-2
InChIKey
HAQRWNBBZAGEJU-UHFFFAOYSA-L
Canonic Smiles
O=CC(=O)[O-].O=CC(=O)[O-].[Ba+2]
Isomeric Smiles
[Ba+2].[O-]C(=O)C=O.[O-]C(=O)C=O
Calculated Properties
JChem
Acid pKa
2.6053126
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.9385595
LogD (pH = 7.4)
-3.6401994
Log P
-0.13367504
Molar Refractivity
24.3371
Polarizability
5.135099
Polar Surface Area
57.2
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
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