1-[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
1-[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8011-9664 |
| Compound Name: | 1-[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2,6-dioxopiperidin-3-yl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 373.79 |
| Molecular Formula: | C18 H16 N3 O4 |
| Salt: | Cl- |
| Smiles: | COc1cc(ccc1O)C1C(C#N)C(NC(C1[n+]1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0831 |
| logD: | -1.1886 |
| logSw: | -1.7855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.412 |
| InChI Key: | MDNYYRFXZQVXDF-UHFFFAOYSA-O |