Base information
| Cat. No. | |
| CAS No. | 64557-97-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12N4O3 |
| Molecular Weight | 272.259 |
| Exact Mass | 272.091 |
| XLogP3 | 2.03958 |
| Mr | 73.5972 |
| PSA | 103.81 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2 |