Molecule

ID:70002

General Information
Structure
MolImage
Molecular Formula
C₅₁H₄₂O₃Pd₂
Molecular Mass
915.71738
Exact Mass
914.1203672
Charge
0
InChI
InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
InChIKey
CYPYTURSJDMMMP-WVCUSYJESA-N
Canonic Smiles
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
Isomeric Smiles
C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.[Pd].[Pd]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.825144
LogD (pH = 7.4)
4.825144
Log P
4.825144
Molar Refractivity
77.0272
Polarizability
28.964622
Polar Surface Area
17.07
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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