Molecule

ID:6441

General Information
Structure
Molecular Formula
C₃₄H₃₈Cl₂FeP₂Pd
Molecular Mass
741.784042
Exact Mass
740.02100334
Charge
0
InChI
InChI=1S/2C17H19P.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-6,9-12,17H,7-8,13-14H2;2*1H;;/q;;;;;+2/p-2
InChIKey
WPFRXYYDAKYBMX-UHFFFAOYSA-L
Canonic Smiles
C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1.Cl[Pd]Cl.[Fe]
Isomeric Smiles
[Fe].[Pd](Cl)Cl.C1CCCC1P(c1ccccc1)c1ccccc1.C1CCCC1P(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7655
LogD (pH = 7.4)
4.7655
Log P
4.7655
Molar Refractivity
77.2799
Polarizability
30.609009
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Synonyms
[1,1'-Bis(diphenylphosphino)ferrocene]-dichloropalladium(II)
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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