HuagongsheHuagongshe Chemistry Print Report · For research reference only
ST069126
Identifiers & Physical Properties
| CAS No. | 6033-45-0 |
|---|---|
| Molecular formula | C17H22FN3O3 |
| Average molar mass | 335.4 g/mol |
| Monoisotopic mass | 335.16451973 g/mol |
| SMILES | O=C(c1cc(N2CCCCC2)c(F)cc1[N+](=O)[O-])N1CCCCC1 |
| InChIKey | SOIHVKBWTPSXTG-UHFFFAOYSA-N |
| PubChem CID | 2881118 |
| DTXSID | DTXSID90387110 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 69.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 458 |