512824-39-4
Product Name:
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethanone
Formula:
C11H12F3N5O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 351.24 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 351.07905299 g/mol |
| Monoisotopic Mass | 351.07905299 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 565 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |