Molecule ID: mol20679
SMILES: CN1C(=O)C(C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChI: InChI=1S/C17H16ClN5O2/c1-17(15(25)23(2)16(19)22-17)10-4-3-5-12(8-10)21-14(24)13-7-6-11(18)9-20-13/h3-9H,1-2H3,(H2,19,22)(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 1 » 0 |