Molecule

ID:111731

General Information
Structure
MolImage
Molecular Formula
C₆BaO₆
Molecular Mass
305.3876
Exact Mass
305.87473472
Charge
0
InChI
InChI=1S/C6H2O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8H;/q;+2/p-2
InChIKey
CUQKYFXHLIXQIV-UHFFFAOYSA-L
Canonic Smiles
[O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O.[Ba+2]
Isomeric Smiles
[Ba+2].[O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O
Calculated Properties
JChem
Acid pKa
4.842358
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.40101516
LogD (pH = 7.4)
-2.1732438
Log P
0.34240055
Molar Refractivity
56.5878
Polarizability
12.208769
Polar Surface Area
114.4
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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