Molecule ID: mol15673
SMILES: COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H]1O5
InChI: InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | Datawarrior | 1 » 0 |