Molecule

ID:112696

General Information
Structure
MolImage
Molecular Formula
Br₂NiO₆
Molecular Mass
314.4978
Exact Mass
311.74150462
Charge
0
InChI
InChI=1S/2BrHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKey
XCCVZTSVSXTDDO-UHFFFAOYSA-L
Canonic Smiles
[O-][Br](=O)=O.[O-][Br](=O)=O.[Ni+2]
Isomeric Smiles
[Ni+2].[O-][Br](=O)=O.[O-][Br](=O)=O
Calculated Properties
JChem
Acid pKa
-29.820747
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.1853838
LogD (pH = 7.4)
-2.1853838
Log P
0.19101496
Molar Refractivity
13.0639
Polarizability
5.874396
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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