Molecule

ID:88376

General Information
Structure
MolImage
Molecular Formula
C₃₅H₃₀Cl₄FeP₂Pd
Molecular Mass
816.637222
Exact Mass
813.89610844
Charge
0
InChI
InChI=1S/2C17H14P.CH2Cl2.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3;;;;/h2*1-14H;1H2;2*1H;;/q;;;;;;+2/p-2
InChIKey
CWHRHCATIKFSND-UHFFFAOYSA-L
Canonic Smiles
c1ccc(cc1)P(c1ccccc1)C1=CC(C=C1)[Fe]C1C=CC(=C1)P(c1ccccc1)c1ccccc1.ClCCl.Cl[Pd]Cl
Isomeric Smiles
[Fe](C1C=CC(=C1)P(c1ccccc1)c1ccccc1)C1C=CC(=C1)P(c1ccccc1)c1ccccc1.[Pd](Cl)Cl.ClCCl
Calculated Properties
JChem
Acid pKa
9.202982
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.0099998
LogD (pH = 7.4)
7.009991
Log P
7.01
Molar Refractivity
158.9244
Polarizability
63.58004
Polar Surface Area
0.0
Rotatable Bonds
8
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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