Molecule

ID:135825

General Information
Structure
MolImage
Molecular Formula
CBaO₃
Molecular Mass
196.914727
Exact Mass
196.89057086
Charge
0
InChI
InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2/i;1+0
InChIKey
AYJRCSIUFZENHW-QMVMUTFZSA-L
Canonic Smiles
[O-]C(=O)[O-].[137Ba+2]
Isomeric Smiles
C(=O)([O-])[O-].[137Ba+2]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
31.1724
Polarizability
3.6386902
Polar Surface Area
63.19
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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