Molecule ID: mol20440
SMILES: NC1=Nc2c(F)cccc2[C@H]2CCC[C@@H]12
InChI: InChI=1S/C12H13FN2/c13-10-6-2-4-8-7-3-1-5-9(7)12(14)15-11(8)10/h2,4,6-7,9H,1,3,5H2,(H2,14,15)/t7-,9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |