Molecule ID: mol17093
SMILES: CC(C)C1=NC(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChI: InChI=1S/C22H21N5/c1-15(2)20-21(23)27-22(26-20,18-8-4-3-5-9-18)19-10-6-7-16(11-19)17-12-24-14-25-13-17/h3-15H,1-2H3,(H2,23,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 1 » 0 |