Molecule ID: mol21859
SMILES: COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(OC)c1
InChI: InChI=1S/C16H16N2O2/c1-10-4-7-13-14(8-10)18-16(17-13)12-6-5-11(19-2)9-15(12)20-3/h4-9H,1-3H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.25 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.25 | OCHEM | 1 » 0 |