Molecule ID: mol141
SMILES: CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.93 | OCHEM | 1 » 0 |
| 9.40 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | Settimo | 1 » 0 |
| 9.50 | Settimo | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.68 | Baltruschat ChEMBL | 0 » -1 |