Base information
| Cat. No. | |
| CAS No. | 845885-80-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8N2O2 |
| Molecular Weight | 224.215 |
| Exact Mass | 224.059 |
| XLogP3 | 2.31848 |
| Mr | 61.3473 |
| PSA | 73.98 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)c1cncc(c1)C(=O)O |
