Molecule

ID:135588

General Information
Structure
MolImage
Molecular Formula
C₂BaO₄
Molecular Mass
225.346
Exact Mass
225.88490548
Charge
0
InChI
InChI=1S/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKey
GXUARMXARIJAFV-UHFFFAOYSA-L
Canonic Smiles
O=C1O[Ba]OC1=O
Isomeric Smiles
C1(=O)C(=O)O[Ba]O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1814
LogD (pH = 7.4)
1.1814
Log P
1.1814
Molar Refractivity
12.5834
Polarizability
11.480984
Polar Surface Area
52.6
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
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