Molecule ID: mol18210
SMILES: CNc1ncnc2c1ccn2Cc1ccccc1F
InChI: InChI=1S/C14H13FN4/c1-16-13-11-6-7-19(14(11)18-9-17-13)8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | OCHEM | 1 » 0 |
| 5.56 | Baltruschat ChEMBL | 1 » 0 |