Molecule ID: mol19780
SMILES: N#Cc1ccncc1NC(=O)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChI: InChI=1S/C24H22ClN5O2/c25-20-4-6-21(7-5-20)32-22-3-1-2-18(14-22)17-29-10-12-30(13-11-29)24(31)28-23-16-27-9-8-19(23)15-26/h1-9,14,16H,10-13,17H2,(H,28,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | Baltruschat ChEMBL | 2 » 1 |