Molecule ID: mol12711
SMILES: COC(=O)C(N)Cc1c[nH]cn1
InChI: InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.38 | Datawarrior | 2 » 1 |
| 5.41 | QSARToolbox | 2 » 1 |
| 5.41 | Datawarrior | 2 » 1 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.33 | Datawarrior | 1 » 0 |
| 7.35 | OCHEM | 1 » 0 |
| 7.35 | Datawarrior | 1 » 0 |