Molecule ID: mol18209
SMILES: CNc1ncnc2c1cnn2Cc1ccccc1F
InChI: InChI=1S/C13H12FN5/c1-15-12-10-6-18-19(13(10)17-8-16-12)7-9-4-2-3-5-11(9)14/h2-6,8H,7H2,1H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | OCHEM | 1 » 0 |
| 4.40 | Baltruschat ChEMBL | 1 » 0 |