2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
Chemical Structure Depiction of
2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine
Compound characteristics
| Compound ID: | 0495-0007 |
| Compound Name: | 2,16-dinitro-6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine |
| Molecular Weight: | 450.4 |
| Molecular Formula: | C20 H22 N2 O10 |
| Smiles: | C1COCCOc2cc(ccc2OCCOc2cc(ccc2OCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6469 |
| logD: | 1.6469 |
| logSw: | -1.9586 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 114.604 |
| InChI Key: | XTZAUSRQCLIKBR-UHFFFAOYSA-N |