HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-Furaltadone hydrochloride
Identifiers & Physical Properties
| CAS No. | 13146-28-6 |
|---|---|
| Molecular formula | C13H17ClN4O6 |
| Average molar mass | 360.75 g/mol |
| Monoisotopic mass | 360.083662 g/mol |
| SMILES | Cl.O=C1O[C@@H](CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1 |
| InChIKey | PPSVFZXMDMUIGB-MERQFXBCSA-N |
| PubChem CID | 5284428 |
| DTXSID | DTXSID4020909 |
Chemical & Physical Properties
| Topological polar surface area | 113 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 476 |