Molecule ID: mol4681
SMILES: COc1ccc2c(c1)NCCN2
InChI: InChI=1S/C9H12N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10-11H,4-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.93 | QSARToolbox | 2 » 1 |
| 1.93 | IUPAC digitized pKa | 2 » 1 |
| 1.93 | Datawarrior | 2 » 1 |
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | Datawarrior | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |