Molecule ID: mol18212
SMILES: CNc1ncnc2c1ncn2Cc1ccccc1F
InChI: InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | OCHEM | 1 » 0 |
| 3.88 | Baltruschat ChEMBL | 1 » 0 |