Molecule

ID:130802

General Information
Structure
MolImage
Molecular Formula
CeH₂₀N₄O₁₈S₄
Molecular Mass
632.5508
Exact Mass
631.87098182
Charge
0
InChI
InChI=1S/Ce.4H3N.4H2O4S.2H2O/c;;;;;4*1-5(2,3)4;;/h;4*1H3;4*(H2,1,2,3,4);2*1H2/q+4;;;;;;;;;;/p-4
InChIKey
VCNAMBGKEDPVGQ-UHFFFAOYSA-J
Canonic Smiles
[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.N.N.N.N.O.O.[Ce+4]
Isomeric Smiles
N.N.N.N.O.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Ce+4]
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
12.6491
Polarizability
6.158906
Polar Surface Area
77.43
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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