Molecule

ID:112805

General Information
Structure
MolImage
Molecular Formula
CoH₁₂Mo₆N₃O₂₁
Molecular Mass
1024.79598
Exact Mass
1036.36197242
Charge
0
InChI
InChI=1S/Co.6Mo.3H3N.21O/h;;;;;;;3*1H3;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*-1/p+3
InChIKey
LKYPFQVXVCPLRV-UHFFFAOYSA-Q
Canonic Smiles
O=[Mo](=O)(O[Mo](=O)(=O)[O-])O[Co](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
Isomeric Smiles
[NH4+].[NH4+].[NH4+].[O-][Mo](=O)(=O)O[Mo](=O)(=O)O[Co](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
11.479027
H Acceptors
15
H Donor
0
LogD (pH = 5.5)
-4.9482
LogD (pH = 7.4)
-4.948236
Log P
-4.9482
Molar Refractivity
29.7447
Polarizability
47.48803
Polar Surface Area
329.4
Rotatable Bonds
12
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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