Molecule

ID:98251

General Information
Structure
MolImage
Molecular Formula
BF₄H₁₂NiO₆+
Molecular Mass
253.5896928
Exact Mass
253.00164928
Charge
1
InChI
InChI=1S/BF4.Ni.6H2O/c2-1(3,4)5;;;;;;;/h;;6*1H2/q-1;+2;;;;;;
InChIKey
YUSXPTYLDZEETH-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.O.O.O.O.O.O.[Ni+2]
Isomeric Smiles
[Ni+2].[B-](F)(F)(F)F.O.O.O.O.O.O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.13
LogD (pH = 7.4)
-1.13
Log P
-1.13
Molar Refractivity
6.0052
Polarizability
3.1085358
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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