Molecule ID: mol36011
SMILES: CC1=C(CCO)SC(O)N1Cc1cnc(C)nc1N
InChI: InChI=1S/C12H18N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17-18H,3-4,6H2,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | QSARToolbox | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |