Molecule

ID:107448

General Information
Structure
MolImage
Molecular Formula
B₂Cd₃O₆
Molecular Mass
454.8514
Exact Mass
459.69817252
Charge
0
InChI
InChI=1S/2BO3.3Cd/c2*2-1(3)4;;;/q2*-3;3*+2
InChIKey
KSUWPYXSYBTWFG-UHFFFAOYSA-N
Canonic Smiles
[O-]B([O-])[O-].[O-]B([O-])[O-].[Cd+2].[Cd+2].[Cd+2]
Isomeric Smiles
[Cd+2].[Cd+2].[Cd+2].[O-]B([O-])[O-].[O-]B([O-])[O-]
Calculated Properties
JChem
Acid pKa
8.698678
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5088733
LogD (pH = 7.4)
-0.52978307
Log P
-0.5086
Molar Refractivity
4.3287
Polarizability
3.917734
Polar Surface Area
69.18
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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