477850-64-9
Product Name:
5-(TRIFLUOROMETHYL)-4-(([3-(TRIFLUOROMETHYL)BENZYL]AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C13H9F6N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 337.22 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 337.06498089 g/mol |
| Monoisotopic Mass | 337.06498089 g/mol |
| Topological Polar Surface Area | 53.5 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 523 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |