3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine
Chemical Structure Depiction of
3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine
3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine
Compound characteristics
| Compound ID: | 1280-3876 |
| Compound Name: | 3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine |
| Molecular Weight: | 406.35 |
| Molecular Formula: | C18 H18 N2 O9 |
| Smiles: | C1COc2cc(ccc2OCCOc2ccc(cc2OCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8218 |
| logD: | 1.8218 |
| logSw: | -2.0619 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.695 |
| InChI Key: | SJHOCMWBHQCJSX-UHFFFAOYSA-N |