3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8005-9559 |
| Compound Name: | 3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 303.29 |
| Molecular Formula: | C13 H9 N3 O4 S |
| Smiles: | c1ccc2c(c1)C(Nc1cccc(c1)[N+]([O-])=O)=NS2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3131 |
| logD: | 1.5905 |
| logSw: | -3.0329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.226 |
| InChI Key: | XQISLEQDUDNRIP-UHFFFAOYSA-N |