Molecule ID: mol15817
SMILES: CC1NCCc2c1[nH]c1ccc(N)cc21
InChI: InChI=1S/C12H15N3/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-3,6-7,14-15H,4-5,13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 16.00 | Datawarrior | 0 » -1 |
| 16.00 | OCHEM | 0 » -1 |
| 16.00 | QSARToolbox | 0 » -1 |