Molecule

ID:44036

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₂N₂O₄Pd++
Molecular Mass
587.14348
Exact Mass
586.29619415
Charge
2
InChI
InChI=1S/2C12H23N.2C2H4O2.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2(3)4;/h2*11-13H,1-10H2;2*1H3,(H,3,4);/q;;;;+4/p-2
InChIKey
CWWOXURZETXBDF-UHFFFAOYSA-L
Canonic Smiles
CC(=O)O[Pd]([NH+](C1CCCCC1)C1CCCCC1)([NH+](C1CCCCC1)C1CCCCC1)OC(=O)C
Isomeric Smiles
[Pd]([NH+](C1CCCCC1)C1CCCCC1)([NH+](C1CCCCC1)C1CCCCC1)(OC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.625531
LogD (pH = 7.4)
3.9598072
Log P
5.8034
Molar Refractivity
158.1056
Polarizability
58.970013
Polar Surface Area
61.48
Rotatable Bonds
10
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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