Molecule ID: mol14684
SMILES: CCc1c(-c2ccccc2)nn(-c2ccccc2)c1O
InChI: InChI=1S/C17H16N2O/c1-2-15-16(13-9-5-3-6-10-13)18-19(17(15)20)14-11-7-4-8-12-14/h3-12,20H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Datawarrior | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |