Base information
| Cat. No. | |
| CAS No. | 100510-33-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14N4O |
| Molecular Weight | 278.309 |
| Exact Mass | 278.117 |
| XLogP3 | 2.9926 |
| Mr | 84.1144 |
| PSA | 70.67 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 38 |
| Ring number | 4 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2c(C1(C)C)cc1c(c2)[nH]c(n1)c1ccncc1 |
