339276-47-0
Product Name:
3-(2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]ETHANEHYDRAZONOYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
Formula:
C20H12ClF6N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 4 |
| Exact Mass | 519.0532859 g/mol |
| Monoisotopic Mass | 519.0532859 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 926 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |