Molecule ID: mol19806
SMILES: Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)CO[C@@H]2F)c1
InChI: InChI=1S/C18H17ClF2N4O2/c1-9-5-10(19)7-23-15(9)16(26)24-11-3-4-13(20)12(6-11)18(2)17(21)27-8-14(22)25-18/h3-7,17H,8H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | Baltruschat ChEMBL | 1 » 0 |