Molecule

ID:69974

General Information
Structure
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Molecular Formula
C₃₄H₂₈O₂Pd
Molecular Mass
575.00492
Exact Mass
574.11241614
Charge
0
InChI
InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;
InChIKey
UKSZBOKPHAQOMP-SVLSSHOZSA-N
Canonic Smiles
O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd]
Isomeric Smiles
[Pd].C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1
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
8
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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