Molecule ID: mol1312
SMILES: C1=C(Cc2ccccc2)NCC1
InChI: InChI=1S/C11H13N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-7,12H,4,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | IUPAC digitized pKa | 1 » 0 |
| 7.06 | Hunt | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |