Molecule ID: mol2270
SMILES: Clc1ccc2nsnc2c1NC1=NCCN1
InChI: InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | OCHEM | 1 » 0 |
| 7.52 | Hunt | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 1 » 0 |