Base information
| Cat. No. | |
| CAS No. | 642-44-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.218 |
| Exact Mass | 195.101 |
| XLogP3 | 0.3793 |
| Mr | 55.8374 |
| PSA | 70.02 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCn1c(=O)n(CC=C)c(cc1=O)N |
