Molecule ID: mol1158
SMILES: c1ccc(CNC(CC2CCCCC2)CC2CCCCC2)cc1
InChI: InChI=1S/C22H35N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h3,8-9,14-15,19-20,22-23H,1-2,4-7,10-13,16-18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Datawarrior | 1 » 0 |
| 7.70 | Hunt | 1 » 0 |