Molecule ID: mol15211
SMILES: OCCN(CCO)Cc1nc2ccccc2[nH]1
InChI: InChI=1S/C12H17N3O2/c16-7-5-15(6-8-17)9-12-13-10-3-1-2-4-11(10)14-12/h1-4,16-17H,5-9H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | Datawarrior | 2 » 1 |
| 5.93 | OCHEM | 1 » 0 |
| 5.93 | QSARToolbox | 1 » 0 |
| 5.93 | Datawarrior | 1 » 0 |