Molecule

ID:98933

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₃O₂Sm++
Molecular Mass
303.4392696
Exact Mass
304.93607103
Charge
2
InChI
InChI=1S/C5H5F3O2.Sm/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+3/p-1
InChIKey
OPHLAYIFMBUCKH-UHFFFAOYSA-M
Canonic Smiles
[O-]/C(=C\C(=O)C)/C(F)(F)F.[Sm+3]
Isomeric Smiles
[O-]/C(=C\C(=O)C)/C(F)(F)F.[Sm+3]
Calculated Properties
JChem
Acid pKa
3.7207158
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8360045
LogD (pH = 7.4)
-2.3542204
Log P
0.942788
Molar Refractivity
39.8911
Polarizability
9.87203
Polar Surface Area
40.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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