Molecule ID: mol19814
SMILES: C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)CO[C@@]1(F)C(F)(F)F
InChI: InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | OCHEM | 1 » 0 |
| 6.80 | Baltruschat ChEMBL | 1 » 0 |