1-oxo-6,7-dihydro-2,1lambda~5~,3-benzoxadiazol-4(5H)-one
Chemical Structure Depiction of
1-oxo-6,7-dihydro-2,1lambda~5~,3-benzoxadiazol-4(5H)-one
1-oxo-6,7-dihydro-2,1lambda~5~,3-benzoxadiazol-4(5H)-one
Compound characteristics
| Compound ID: | 0061-0001 |
| Compound Name: | 1-oxo-6,7-dihydro-2,1lambda~5~,3-benzoxadiazol-4(5H)-one |
| Molecular Weight: | 154.12 |
| Molecular Formula: | C6 H6 N2 O3 |
| Smiles: | C1CC(c2c(C1)[n+]([O-])on2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6434 |
| logD: | 0.6434 |
| logSw: | -0.2388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.485 |
| InChI Key: | JZJKEJLEBBRJMD-UHFFFAOYSA-N |