Molecule ID: mol21004
SMILES: COC(=O)N(C)CSc1[nH]cnc2ncnc1-2
InChI: InChI=1S/C9H11N5O2S/c1-14(9(15)16-2)5-17-8-6-7(11-3-10-6)12-4-13-8/h3-4H,5H2,1-2H3,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 0 » -1 |