Molecule ID: mol1286
SMILES: c1cc(CN2CCCCC2)ccn1
InChI: InChI=1S/C11H16N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h4-7H,1-3,8-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 2 » 1 |
| 3.90 | QSARToolbox | 2 » 1 |
| 3.96 | AttenGpKa training set | 2 » 1 |
| 7.88 | IUPAC digitized pKa | 1 » 0 |
| 7.88 | Hunt | 1 » 0 |
| 7.88 | OCHEM | 1 » 0 |
| 7.88 | QSARToolbox | 1 » 0 |
| 7.92 | AttenGpKa training set | 1 » 0 |