76552-35-7
Product Name:
4-[3-[3-carboxy-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]allylidene]-4,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Formula:
C15H10F6N4O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.25 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.05045302 g/mol |
| Monoisotopic Mass | 456.05045302 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 962 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |