Molecule ID: mol20673
SMILES: CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N
InChI: InChI=1S/C18H18ClN5O2/c1-18(9-15(25)24(2)17(20)23-18)11-4-3-5-13(8-11)22-16(26)14-7-6-12(19)10-21-14/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,22,26)/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |