21-nitro-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine
Chemical Structure Depiction of
21-nitro-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine
21-nitro-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine
Compound characteristics
| Compound ID: | 0495-0094 |
| Compound Name: | 21-nitro-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C18 H27 N O9 |
| Smiles: | C1COCCOCCOc2ccc(cc2OCCOCCOCCO1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.2423 |
| logD: | 0.2423 |
| logSw: | -1.6681 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.317 |
| InChI Key: | YHELSHISKYMUTG-UHFFFAOYSA-N |