Molecule ID: mol5527
SMILES: C=Cc1c(C)c2cc3nc(c(C)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4)[C@@H](CCC(=O)O)[C@@H]3C
InChI: InChI=1S/C32H36N4O2/c1-8-21-18(5)27-15-30-22(9-2)17(4)26(34-30)14-28-19(6)23(10-11-31(37)38)32(36-28)20(7)25-12-16(3)24(33-25)13-29(21)35-27/h9,12-15,19,23,34-35H,2,8,10-11H2,1,3-7H3,(H,37,38)/t19-,23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |