Molecule ID: mol21288
SMILES: CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c21
InChI: InChI=1S/C11H11Cl2F2N3/c1-5-9-6(12)2-3-7(13)10(9)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |