HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nilotinib malonate
Identifiers & Physical Properties
| Molecular formula | C31H24F3N7O5-2 |
|---|---|
| Average molar mass | 631.6 g/mol |
| Monoisotopic mass | 631.17910138 g/mol |
| SMILES | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.O=C([O-])CC(=O)[O-] |
| InChIKey | BHMSSGBCSNZSMT-UHFFFAOYSA-L |
| PubChem CID | 86688198 |
Chemical & Physical Properties
| Topological polar surface area | 178 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 13 |
| Rotatable bonds | 6 |
| Heavy atoms | 46 |
| Formal charge | -2 |
| Complexity | 889 |