C8H11Cl2N5 — CID 19932
CID 19932 (PubChem CID 19932) has the molecular formula C8H11Cl2N5 and a molecular weight of 248.11 g/mol. Its IUPAC name is [N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]azanium chloride.
| Compound Name | CID 19932 |
|---|---|
| PubChem CID | 19932 |
| Molecular Formula | C8H11Cl2N5 |
| Molecular Weight | 248.11 g/mol |
| Exact Mass | 247.04 |
| IUPAC Name | [N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]azanium chloride |
| SMILES | C1=CC(=CC=C1N=C(N)N=C([NH3+])N)Cl.[Cl-] |
| InChIKey | NAFSLMFLGYXGIF-UHFFFAOYSA-N |
| XLogP | N/A |
| TPSA | 104.00 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | 242 |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 248.11 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|