Molecule ID: mol19812
SMILES: C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
InChI: InChI=1S/C17H14ClF4N5O2/c1-16(15(17(20,21)22)29-7-13(23)27-16)9-4-8(2-3-10(9)19)26-14(28)11-5-25-12(18)6-24-11/h2-6,15H,7H2,1H3,(H2,23,27)(H,26,28)/t15-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |