Molecule

ID:112399

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄Cl₂Ir₂
Molecular Mass
671.70176
Exact Mass
672.05135813
Charge
0
InChI
InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2
InChIKey
ZFOUDQNHNLDNLD-UHFFFAOYSA-L
Canonic Smiles
C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Ir+].[Ir+]
Isomeric Smiles
[Cl-].[Cl-].[Ir+].[Ir+].C1CC=CCCC=C1.C1CC=CCCC=C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.832706
LogD (pH = 7.4)
2.832706
Log P
2.832706
Molar Refractivity
39.0412
Polarizability
14.319889
Polar Surface Area
0.0
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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