861206-15-7
Product Name:
5-METHYL-4-PHENYL-2-[3-(TRIFLUOROMETHYL)BENZYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula:
C17H14F3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 333.31 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 333.10889656 g/mol |
| Monoisotopic Mass | 333.10889656 g/mol |
| Topological Polar Surface Area | 35.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 500 |
| 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 |