Molecule

ID:111166

General Information
Structure
MolImage
Molecular Formula
C₂H₈N₄O₄Pd
Molecular Mass
258.52932
Exact Mass
257.95804076
Charge
0
InChI
InChI=1S/C2H8N2.2HNO2.Pd/c3-1-2-4;2*2-1-3;/h1-4H2;2*(H,2,3);/q;;;+2/p-2
InChIKey
LKENVYYGWIYXTD-UHFFFAOYSA-L
Canonic Smiles
NCCN.[O-]N=O.[O-]N=O.[Pd+2]
Isomeric Smiles
[Pd+2].NCCN.[O-]N=O.[O-]N=O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.91292
LogD (pH = 7.4)
-3.7797713
Log P
-1.4224427
Molar Refractivity
17.8686
Polarizability
7.4730473
Polar Surface Area
52.04
Rotatable Bonds
1
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
References
Bioactivity
Navigation