Molecule

ID:109657

General Information
Structure
Molecular Formula
BaCl₂O₆
Molecular Mass
304.2294
Exact Mass
303.81244008
Charge
0
InChI
InChI=1S/Ba.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
InChIKey
ISFLYIRWQDJPDR-UHFFFAOYSA-L
Canonic Smiles
[O-][Cl](=O)=O.[O-][Cl](=O)=O.[Ba+2]
Isomeric Smiles
[Ba+2].[O-][Cl](=O)=O.[O-][Cl](=O)=O
Calculated Properties
JChem
Acid pKa
-4.672161
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.3354366
LogD (pH = 7.4)
-2.3354366
Log P
0.040962167
Molar Refractivity
10.465
Polarizability
4.606249
Polar Surface Area
57.2
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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