Base information
| Cat. No. | |
| CAS No. | 666837-93-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.245 |
| Exact Mass | 241.085 |
| XLogP3 | 2.049 |
| Mr | 70.7764 |
| PSA | 67.01 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2 |
