Molecule

ID:126698

General Information
Structure
MolImage
Molecular Formula
CuN₆
Molecular Mass
147.5862
Exact Mass
146.94804153
Charge
0
InChI
InChI=1S/Cu.2N3/c;2*1-3-2/q+2;2*-1
InChIKey
SXHYOTRZGGGMEV-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Cu+2]
Isomeric Smiles
[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
5.091568
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.11483899
LogD (pH = 7.4)
-0.14936252
Log P
0.07809129
Molar Refractivity
7.6
Polarizability
2.852743
Polar Surface Area
34.14
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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