Molecule ID: mol21076
SMILES: CCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1
InChI: InChI=1S/C20H18N4O/c1-2-20(24-19(21)17-8-3-4-9-18(17)25-20)16-7-5-6-14(10-16)15-11-22-13-23-12-15/h3-13H,2H2,1H3,(H2,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |