Molecule ID: mol1395
SMILES: Cc1cc2cccc(O)c2nc1C
InChI: InChI=1S/C11H11NO/c1-7-6-9-4-3-5-10(13)11(9)12-8(7)2/h3-6,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.86 | Datawarrior | 1 » 0 |
| 5.86 | OCHEM | 1 » 0 |
| 5.87 | IUPAC digitized pKa | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.20 | IUPAC digitized pKa | 0 » -1 |
| 10.20 | Datawarrior | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | Hunt | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |