Molecule

ID:98341

General Information
Structure
MolImage
Molecular Formula
C₄F₆O₄Pd
Molecular Mass
332.4508192
Exact Mass
331.8735638
Charge
0
InChI
InChI=1S/2C2HF3O2.Pd/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey
PBDBXAQKXCXZCJ-UHFFFAOYSA-L
Canonic Smiles
O=C(C(F)(F)F)O[Pd]OC(=O)C(F)(F)F
Isomeric Smiles
FC(C(=O)O[Pd]OC(=O)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1092
LogD (pH = 7.4)
2.1092
Log P
2.1092
Molar Refractivity
25.4526
Polarizability
15.193185
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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