Molecule

ID:94637

General Information
Structure
MolImage
Molecular Formula
B₂CuF₈H₁₂O₆
Molecular Mass
345.2469056
Exact Mass
344.99882216
Charge
0
InChI
InChI=1S/2BF4.Cu.6H2O/c2*2-1(3,4)5;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;;
InChIKey
FBYIXFBIARQMJJ-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.F[B-](F)(F)F.O.O.O.O.O.O.[Cu+2]
Isomeric Smiles
[B-](F)(F)(F)F.[B-](F)(F)(F)F.O.[Cu+2].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
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation