338960-21-7
Product Name:
2-(TERT-BUTYL)-4-(4-CHLOROPHENYL)-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBONITRILE
Formula:
C16H17ClN2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 288.77 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 288.1029409 g/mol |
| Monoisotopic Mass | 288.1029409 g/mol |
| Topological Polar Surface Area | 52.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 472 |
| 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 |