N-(2H-1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(2H-1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0048 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 300.23 |
| Molecular Formula: | C13 H8 N4 O5 |
| Smiles: | C1Oc2ccc(cc2O1)Nc1ccc2c(c1[N+]([O-])=O)non2 |
| Stereo: | ACHIRAL |
| logP: | 3.9908 |
| logD: | 3.9908 |
| logSw: | -4.4851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.438 |
| InChI Key: | BJIUXXQWAKAKNU-UHFFFAOYSA-N |