Base information
| Cat. No. | |
| CAS No. | 171102-29-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.251 |
| Exact Mass | 231.101 |
| XLogP3 | 2.3059 |
| Mr | 63.9674 |
| PSA | 59.17 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1c(ccc2c1OCCO2)Nc1ncc[nH]1 |
