Molecule

ID:112811

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₄Cl₂N₆Ru
Molecular Mass
640.52776
Exact Mass
640.04829916
Charge
0
InChI
InChI=1S/3C10H8N2.2ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKey
SJFYGUKHUNLZTK-UHFFFAOYSA-L
Canonic Smiles
c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.Cl[Ru]Cl
Isomeric Smiles
Cl[Ru]Cl.c1cnc(cc1)c1ncccc1.c1cnc(cc1)c1ncccc1.c1cnc(cc1)c1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9542185
LogD (pH = 7.4)
1.956794
Log P
1.9568269
Molar Refractivity
46.1364
Polarizability
19.578226
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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