Molecule ID: mol34636
SMILES: COc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1
InChI: InChI=1S/C28H24N2O4/c1-15-25(20-13-17(32-3)9-11-23(20)29-15)28(22-8-6-5-7-19(22)27(31)34-28)26-16(2)30-24-12-10-18(33-4)14-21(24)26/h5-14,29-30H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | QSARToolbox | -1 » -2 |