Molecule

ID:112807

General Information
Structure
MolImage
Molecular Formula
H₂₄Mo₉N₆NiO₃₂
Molecular Mass
1542.54496
Exact Mass
1559.12752754
Charge
0
InChI
InChI=1S/9Mo.6H3N.Ni.3H2O.29O/h;;;;;;;;;6*1H3;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey
GJUAREGPWQAADM-UHFFFAOYSA-N
Canonic Smiles
O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Ni]=O.N.N.N.N.N.N.O.O
Isomeric Smiles
N.N.N.N.N.N.O.O.O.O=[Ni]=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.0542
LogD (pH = 7.4)
-1.0542
Log P
-1.0542
Molar Refractivity
4.3287
Polarizability
6.8503585
Polar Surface Area
51.21
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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