Molecule

ID:110247

General Information
Structure
MolImage
Molecular Formula
CeH₁₆N₇O₁₉
Molecular Mass
558.27854
Exact Mass
557.95553433
Charge
0
InChI
InChI=1S/Ce.5NO3.2H3N.4H2O/c;5*2-1(3)4;;;;;;/h;;;;;;2*1H3;4*1H2/q+3;5*-1;;;;;;/p+2
InChIKey
MUUZQJVCOSXKMS-UHFFFAOYSA-P
Canonic Smiles
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[NH4+].[NH4+].O.O.O.O.[Ce+3]
Isomeric Smiles
[NH4+].[NH4+].O.O.O.O.[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.3999903
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8368004
LogD (pH = 7.4)
0.8368004
Log P
0.8368004
Molar Refractivity
8.3471
Polarizability
3.4222581
Polar Surface Area
66.2
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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