Molecule ID: mol2566
SMILES: Cc1cnc2c(O)cccc2c1C
InChI: InChI=1S/C11H11NO/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13/h3-6,13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | IUPAC digitized pKa | 1 » 0 |
| 5.80 | Datawarrior | 1 » 0 |
| 5.80 | OCHEM | 1 » 0 |
| 5.80 | OCHEM | 1 » 0 |
| 5.80 | OCHEM | 1 » 0 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | Datawarrior | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |
| 10.05 | Hunt | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |