3,4-dioxo-4,5,6,7,8,9-hexahydro-3H-[1,2,3]oxadiazolo[3,4-a]azocin-10-ium-3a-ide
Chemical Structure Depiction of
3,4-dioxo-4,5,6,7,8,9-hexahydro-3H-[1,2,3]oxadiazolo[3,4-a]azocin-10-ium-3a-ide
3,4-dioxo-4,5,6,7,8,9-hexahydro-3H-[1,2,3]oxadiazolo[3,4-a]azocin-10-ium-3a-ide
Compound characteristics
| Compound ID: | 8018-8916 |
| Compound Name: | 3,4-dioxo-4,5,6,7,8,9-hexahydro-3H-[1,2,3]oxadiazolo[3,4-a]azocin-10-ium-3a-ide |
| Molecular Weight: | 182.18 |
| Molecular Formula: | C8 H10 N2 O3 |
| Smiles: | C1CCC([C-]2C(=O)ON=[N+]2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1388 |
| logD: | 0.1388 |
| logSw: | 0.067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.334 |
| InChI Key: | LBEBDQDKTLTOQV-UHFFFAOYSA-N |