Molecule ID: mol7138
SMILES: Cc1nc(O)nc(O)c1N(CCCl)CCCl
InChI: InChI=1S/C9H13Cl2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 2 » 1 |
| 3.70 | IUPAC digitized pKa | 1 » 0 |