Molecule ID: mol32802
SMILES: COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5(S(=O)(=O)O)CC43
InChI: InChI=1S/C23H26N2O7S/c1-30-15-7-13-14(8-16(15)31-2)25-19(26)9-17-20-21(25)22(13)4-5-24-11-12(3-6-32-17)23(20,10-18(22)24)33(27,28)29/h3,7-8,17-18,20-21H,4-6,9-11H2,1-2H3,(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.45 | OCHEM | 0 » -1 |