Molecule ID: mol15637
SMILES: N#Cc1c(-c2nc3ccccc3s2)c(=O)oc2cc(O)ccc12
InChI: InChI=1S/C17H8N2O3S/c18-8-11-10-6-5-9(20)7-13(10)22-17(21)15(11)16-19-12-3-1-2-4-14(12)23-16/h1-7,20H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.38 | Datawarrior | 0 » -1 |
| 6.38 | OCHEM | 0 » -1 |