Molecule ID: mol3940
SMILES: Cc1noc(C)c1C
InChI: InChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.00 | IUPAC digitized pKa | 1 » 0 |
| -1.00 | Datawarrior | 1 » 0 |
| -1.00 | OCHEM | 1 » 0 |
| -1.00 | OCHEM | 1 » 0 |
| -1.00 | QSARToolbox | 1 » 0 |
| -0.76 | IUPAC digitized pKa | 1 » 0 |
| -0.76 | AttenGpKa training set | 1 » 0 |