Molecule ID: mol30206
SMILES: COc1ccc2cc1Oc1ccc(cc1)Cc1ccc3c4c(c(OC)c(c3c1)Oc1c3c(cc(OC)c1OC)C(C2)N(C)CC3)OCO4
InChI: InChI=1S/C39H37NO8/c1-40-15-14-27-28-20-33(42-3)37(43-4)35(27)48-36-29-17-23(8-12-26(29)34-39(38(36)44-5)46-21-45-34)16-22-6-10-25(11-7-22)47-32-19-24(18-30(28)40)9-13-31(32)41-2/h6-13,17,19-20,30H,14-16,18,21H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.62 | AttenGpKa training set | 1 » 0 |