Molecule ID: mol15555
SMILES: COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12
InChI: InChI=1S/C15H15NO3/c1-7-5-11(17)10-6-12(18-4)15-13(14(10)16-7)8(2)9(3)19-15/h5-6H,1-4H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | Datawarrior | 1 » 0 |
| 2.91 | QSARToolbox | 1 » 0 |
| 2.91 | OCHEM | 1 » 0 |