HuagongsheHuagongshe Chemistry Print Report · For research reference only
US10918640, Example 14
Identifiers & Physical Properties
| Molecular formula | C13H12IN5O2 |
|---|---|
| Average molar mass | 397.17 g/mol |
| SMILES | O=C(Nc1cccnn1)N1CC(Oc2ccc(I)cn2)C1 |
| InChIKey | XYZLQUMFZDMMFN-UHFFFAOYSA-N |
| PubChem CID | 66710496 |
| ChEMBL | CHEMBL6007656 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 80.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 366 |