Molecule ID: mol14361
SMILES: CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCn1ccnc1
InChI: InChI=1S/C37H73N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-39(35-36-40-34-31-38-37-40)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34,37H,3-30,32-33,35-36H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Datawarrior | 2 » 1 |
| 4.00 | OCHEM | 2 » 1 |
| 4.00 | QSARToolbox | 2 » 1 |