Molecule ID: mol2451
SMILES: C1=C(c2ccccc2)NCC1
InChI: InChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-7,11H,4,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | QSARToolbox | 1 » 0 |
| 6.75 | AttenGpKa training set | 1 » 0 |
| 6.84 | Hunt | 1 » 0 |