Molecule ID: mol1983
SMILES: C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12
InChI: InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Hunt | 0 » -1 |
| 7.00 | Baltruschat ChEMBL | 0 » -1 |