Molecule

ID:129811

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈NO₄Ru
Molecular Mass
351.42502
Exact Mass
352.10618238
Charge
0
InChI
InChI=1S/C12H28N.4O.Ru/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-12H2,1-4H3;;;;;/q+1;;;;-1;
InChIKey
NQSIKKSFBQCBSI-UHFFFAOYSA-N
Canonic Smiles
[O-][Ru](=O)(=O)=O.CCC[N+](CCC)(CCC)CCC
Isomeric Smiles
CCC[N+](CCC)(CCC)CCC.O=[Ru](=O)(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-0.45
LogD (pH = 5.5)
-0.45
Log P
-0.45
Rotatable Bonds
8
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
25.47
Molar Refractivity
72.99
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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