Molecule ID: mol1602
SMILES: O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChI: InChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | Hunt | 0 » -1 |