Molecule

ID:131065

General Information
Structure
MolImage
Molecular Formula
C₆H₂BaO₆
Molecular Mass
307.40348
Exact Mass
307.89038478
Charge
0
InChI
InChI=1S/C6H2O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-2H;/q-2;+2
InChIKey
MEKOENHWVFJRKP-UHFFFAOYSA-N
Canonic Smiles
[O-]C1C([O-])C(=O)C(=O)C(=O)C1=O.[Ba+2]
Isomeric Smiles
C1(C(C(=O)C(=O)C(=O)C1=O)[O-])[O-].[Ba+2]
Calculated Properties
JChem
Acid pKa
5.9860306
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.53079534
LogD (pH = 7.4)
-1.8305163
Log P
-0.40816966
Molar Refractivity
54.2594
Polarizability
12.467088
Polar Surface Area
114.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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