318958-98-4
Product Name:
ETHYL 1-HYDROXY-1-(TRIFLUOROMETHYL)-1,5,6,10B-TETRAHYDRO-2H-ISOXAZOLO[3,2-A]ISOQUINOLINE-2-CARBOXYLATE
Formula:
C15H16F3NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.29 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 331.10314248 g/mol |
| Monoisotopic Mass | 331.10314248 g/mol |
| Topological Polar Surface Area | 59 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 472 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |