4-nitro-N-[(oxolan-2-yl)methyl]-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
4-nitro-N-[(oxolan-2-yl)methyl]-2,1,3-benzoxadiazol-5-amine
4-nitro-N-[(oxolan-2-yl)methyl]-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 4061-0051 |
| Compound Name: | 4-nitro-N-[(oxolan-2-yl)methyl]-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 264.24 |
| Molecular Formula: | C11 H12 N4 O4 |
| Smiles: | C1CC(CNc2ccc3c(c2[N+]([O-])=O)non3)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1555 |
| logD: | 2.1555 |
| logSw: | -2.4543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.299 |
| InChI Key: | RNTJBBPIEFZPLT-SSDOTTSWSA-N |