9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Chemical Structure Depiction of
9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione
Compound characteristics
| Compound ID: | 8020-1517 |
| Compound Name: | 9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazine-5,11(6aH)-dione |
| Molecular Weight: | 296.24 |
| Molecular Formula: | C15 H8 N2 O5 |
| Smiles: | c1ccc2c(c1)C(=O)OC1c3ccc(cc3C(N12)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2787 |
| logD: | 2.2787 |
| logSw: | -3.0536 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.069 |
| InChI Key: | JTHXAQJJWNFDLL-CQSZACIVSA-N |