Molecule ID: mol20678
SMILES: CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)c2ccccc2O1
InChI: InChI=1S/C21H16ClFN4O2/c1-21(27-19(24)14-4-2-3-5-18(14)29-21)15-10-13(7-8-16(15)23)26-20(28)17-9-6-12(22)11-25-17/h2-11H,1H3,(H2,24,27)(H,26,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 1 » 0 |