Molecule

ID:78463

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₀O₁₂Ru₃
Molecular Mass
669.5694
Exact Mass
671.8867734
Charge
0
InChI
InChI=1S/7CO.5CH3.5H2O.3Ru/c7*1-2;;;;;;;;;;;;;/h;;;;;;;5*1H3;5*1H2;;;/q;;;;;;;5*-1;;;;;;;;/p+5
InChIKey
GSHJFVJHRVYODS-UHFFFAOYSA-S
Canonic Smiles
[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[Ru].[Ru]
Isomeric Smiles
[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[OH3+].[CH3-].[OH3+].[CH3-].[OH3+].[CH3-].[OH3+].[CH3-].[OH3+].[CH3-].[Ru].[Ru].[Ru]
Calculated Properties
JChem
Acid pKa
11.316423
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.9616644
LogD (pH = 7.4)
-3.9615731
Log P
-3.9616656
Molar Refractivity
26.2298
Polarizability
2.2798557
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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