133828-97-4
Product Name:
4-(4-CHLOROPHENYL)-3-CYANO-6-OXO-5-(1-PYRIDINIUMYL)-1,4,5,6-TETRAHYDRO-2-PYRIDINOLATE
Formula:
C17H12ClN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 325.7 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.0618043 g/mol |
| Monoisotopic Mass | 325.0618043 g/mol |
| Topological Polar Surface Area | 51 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |