Molecule ID: mol17913
SMILES: CC(C)c1cccc(C(C)C)c1N=C1NCCN1
InChI: InChI=1S/C15H23N3/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-15-16-8-9-17-15/h5-7,10-11H,8-9H2,1-4H3,(H2,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.65 | OCHEM | 1 » 0 |
| 10.65 | Baltruschat ChEMBL | 1 » 0 |