Molecule

ID:111189

General Information
Structure
MolImage
Molecular Formula
Cl₆H₄₂N₁₄O₂Ru₃
Molecular Mass
786.35408
Exact Mass
785.88767973
Charge
0
InChI
InChI=1S/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6
InChIKey
ZXYSDUPLHOJIOR-UHFFFAOYSA-H
Canonic Smiles
[Ru+2]O[Ru+2]O[Ru+2].N.N.N.N.N.N.N.N.N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Cl-]
Isomeric Smiles
N.N.N.N.N.N.N.N.N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2]O[Ru+2]O[Ru+2]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5424
LogD (pH = 7.4)
0.5424
Log P
0.5424
Molar Refractivity
2.7004
Polarizability
16.125914
Polar Surface Area
18.46
Rotatable Bonds
2
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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