HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Dihydroxy-2-(pyrrolidin-1-yl)anthracene-9,10-dione
Identifiers & Physical Properties
| CAS No. | 20253-56-9 |
|---|---|
| Molecular formula | C18H15NO4 |
| Average molar mass | 309.3 g/mol |
| Monoisotopic mass | 309.10010796 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2c(O)c(N3CCCC3)cc(O)c21 |
| InChIKey | XITVJVOUZXZYIV-UHFFFAOYSA-N |
| PubChem CID | 14419219 |
| DTXSID | DTXSID70560060 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 77.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 501 |