Molecule ID: mol16049
SMILES: O=c1[nH]cc(CN(CCCl)CCCl)c(=O)[nH]1
InChI: InChI=1S/C9H13Cl2N3O2/c10-1-3-14(4-2-11)6-7-5-12-9(16)13-8(7)15/h5H,1-4,6H2,(H2,12,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | Baltruschat ChEMBL | 1 » 0 |