Molecule ID: mol11725
SMILES: Cn1c(=S)[nH]c2cc3c(cc21)CCCC3
InChI: InChI=1S/C12H14N2S/c1-14-11-7-9-5-3-2-4-8(9)6-10(11)13-12(14)15/h6-7H,2-5H2,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.65 | AttenGpKa training set | 0 » -1 |
| 10.78 | IUPAC digitized pKa | 0 » -1 |
| 10.78 | Datawarrior | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |