Molecule

ID:112249

General Information
Structure
MolImage
Molecular Formula
C₂H₈Cu₂N₂O₄S
Molecular Mass
283.25292
Exact Mass
281.87967275
Charge
0
InChI
InChI=1S/C2H8N2.2Cu.H2O4S/c3-1-2-4;;;1-5(2,3)4/h1-4H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKey
ZNVGSGZKNLTDCL-UHFFFAOYSA-L
Canonic Smiles
[O-]S(=O)(=O)[O-].NCCN.[Cu+].[Cu+]
Isomeric Smiles
[Cu+].[Cu+].NCCN.[O-]S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
11.5274
Polarizability
6.037845
Polar Surface Area
80.26
Rotatable Bonds
1
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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