Molecule ID: mol16214
SMILES: Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1
InChI: InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Baltruschat ChEMBL | 1 » 0 |