Molecule ID: mol2077
SMILES: CCNc1ccccc1C
InChI: InChI=1S/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.92 | Datawarrior | 1 » 0 |
| 4.92 | OCHEM | 1 » 0 |
| 4.92 | OCHEM | 1 » 0 |
| 4.92 | OCHEM | 1 » 0 |
| 4.92 | QSARToolbox | 1 » 0 |
| 4.92 | OCHEM | 1 » 0 |
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 4.96 | OCHEM | 1 » 0 |
| 4.96 | Hunt | 1 » 0 |
| 4.96 | OCHEM | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |