Molecule ID: mol14785
SMILES: CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3
InChI: InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.08 | OCHEM | 1 » 0 |
| 7.08 | Datawarrior | 1 » 0 |
| 8.92 | Datawarrior | 0 » -1 |
| 8.92 | OCHEM | 0 » -1 |