HuagongsheHuagongshe Chemistry Print Report · For research reference only
PhIP.HCl
Identifiers & Physical Properties
| CAS No. | 271241-42-0 |
|---|---|
| Molecular formula | C13H13ClN4 |
| Average molar mass | 260.72 g/mol |
| Monoisotopic mass | 260.0828741 g/mol |
| SMILES | Cl.Cn1c(N)nc2ncc(-c3ccccc3)cc21 |
| InChIKey | HXHJWFHXXVSWAW-UHFFFAOYSA-N |
| PubChem CID | 5284446 |
| DTXSID | DTXSID7021154 |
Chemical & Physical Properties
| Topological polar surface area | 56.7 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 264 |