Molecule ID: mol27980
SMILES: c1ccc(C(=NCCN2CCNCC2)c2ccccc2)cc1
InChI: InChI=1S/C19H23N3/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)21-13-16-22-14-11-20-12-15-22/h1-10,20H,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | AttenGpKa training set | 3 » 2 |
| 5.80 | AttenGpKa training set | 2 » 1 |
| 9.20 | AttenGpKa training set | 1 » 0 |