Molecule ID: mol20671
SMILES: C[C@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)c2ccccc21
InChI: InChI=1S/C21H17ClN4O/c1-21(17-8-3-2-7-16(17)19(23)26-21)13-5-4-6-15(11-13)25-20(27)18-10-9-14(22)12-24-18/h2-12H,1H3,(H2,23,26)(H,25,27)/t21-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | Baltruschat ChEMBL | 0 » -1 |