2-[methyl(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[methyl(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[methyl(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | R052-1865 |
| Compound Name: | 2-[methyl(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 238.2 |
| Molecular Formula: | C9 H10 N4 O4 |
| Smiles: | CN(CCO)c1ccc2c(c1[N+]([O-])=O)non2 |
| Stereo: | ACHIRAL |
| logP: | 1.538 |
| logD: | 1.538 |
| logSw: | -1.6951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.667 |
| InChI Key: | LYEQSHDWXLQAJR-UHFFFAOYSA-N |