2-nitro-5,6a,7,8,9,10,10a,12-octahydrodibenzo[b,f][1,4]diazocine-6,11-dione
Chemical Structure Depiction of
2-nitro-5,6a,7,8,9,10,10a,12-octahydrodibenzo[b,f][1,4]diazocine-6,11-dione
2-nitro-5,6a,7,8,9,10,10a,12-octahydrodibenzo[b,f][1,4]diazocine-6,11-dione
Compound characteristics
| Compound ID: | 8010-1146 |
| Compound Name: | 2-nitro-5,6a,7,8,9,10,10a,12-octahydrodibenzo[b,f][1,4]diazocine-6,11-dione |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C14 H15 N3 O4 |
| Smiles: | C1CCC2C(C1)C(Nc1ccc(cc1NC2=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1587 |
| logD: | 1.298 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.706 |
| InChI Key: | MLFLDBJGEUOPBZ-UHFFFAOYSA-N |