Molecule

ID:135671

General Information
Structure
MolImage
Molecular Formula
C₃₂H₄₂Cl₃Cu₂I₂N₃Pd
Molecular Mass
1062.37592
Exact Mass
1058.8160584
Charge
0
InChI
InChI=1S/C27H38N2.C5H4ClN.2ClH.2Cu.2HI.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;6-5-2-1-3-7-4-5;;;;;;;/h9-16,18-21H,17H2,1-8H3;1-4H;2*1H;;;2*1H;/q;;;;2*+1;;;+2/p-4
InChIKey
IDLDIAHKQDWVLN-UHFFFAOYSA-J
Canonic Smiles
CC(c1cccc(c1N1C=CN(C1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.Clc1cccnc1.Cl[Pd]Cl.[Cu]I.[Cu]I
Isomeric Smiles
CC(C)c1cccc(c1N1CN(C=C1)c1c(cccc1C(C)C)C(C)C)C(C)C.c1cc(cnc1)Cl.Cl[Pd]Cl.[Cu]I.[Cu]I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.983731
LogD (pH = 7.4)
8.983732
Log P
8.983732
Molar Refractivity
127.9855
Polarizability
48.63741
Polar Surface Area
6.48
Rotatable Bonds
6
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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