Molecule ID: mol21082
SMILES: C[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)[C@H]2CCCCN21
InChI: InChI=1S/C19H21FN4/c1-19(23-18(21)17-7-2-3-8-24(17)19)15-6-4-5-13(9-15)14-10-16(20)12-22-11-14/h4-6,9-12,17H,2-3,7-8H2,1H3,(H2,21,23)/t17-,19+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |