3-ethanimidoyl-4-hydroxy-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-ethanimidoyl-4-hydroxy-6-nitro-2H-1-benzopyran-2-one
3-ethanimidoyl-4-hydroxy-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0672-0519 |
| Compound Name: | 3-ethanimidoyl-4-hydroxy-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 248.19 |
| Molecular Formula: | C11 H8 N2 O5 |
| Smiles: | CC(C1=C(c2cc(ccc2OC1=O)[N+]([O-])=O)O)=N |
| Stereo: | ACHIRAL |
| logP: | 0.9061 |
| logD: | -3.4571 |
| logSw: | -2.4188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.774 |
| InChI Key: | ZHAYSTCRNULHMW-UHFFFAOYSA-N |