Base information
| Cat. No. | |
| CAS No. | 179386-44-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17N3O5 |
| Molecular Weight | 319.313 |
| Exact Mass | 319.117 |
| XLogP3 | 0.5764 |
| Mr | 83.5 |
| PSA | 124.42 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C\C(=O)O.CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3 |
