HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 156641237
Identifiers & Physical Properties
| Molecular formula | C17H24ClN4O2- |
|---|---|
| Average molar mass | 351.8 g/mol |
| SMILES | CC1CC(CCO1)CC2(C3=C([Cl-]2)C(=CC=C3)NC)/N=C(/N)\NC=O |
| InChIKey | QOBFKNNYCJSNCN-UHFFFAOYSA-N |
| PubChem CID | 156641237 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 88.7 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 24 |
| Formal charge | -1 |
| Complexity | 489 |