Molecule ID: mol20664
SMILES: Cc1cc(Cl)cc(Cl)c1N=C1NCCN1
InChI: InChI=1S/C10H11Cl2N3/c1-6-4-7(11)5-8(12)9(6)15-10-13-2-3-14-10/h4-5H,2-3H2,1H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.03 | OCHEM | 1 » 0 |
| 9.03 | Baltruschat ChEMBL | 1 » 0 |
| 9.03 | Baltruschat ChEMBL | 1 » 0 |
| 9.03 | AttenGpKa training set | 1 » 0 |
| 9.03 | AttenGpKa training set | 1 » 0 |