Molecule ID: mol19993
SMILES: O=C(NC1CCC(N2CCCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1
InChI: InChI=1S/C21H30N2O/c24-21(20-15-19(20)16-7-3-1-4-8-16)22-17-9-11-18(12-10-17)23-13-5-2-6-14-23/h1,3-4,7-8,17-20H,2,5-6,9-15H2,(H,22,24)/t17?,18?,19-,20+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Baltruschat ChEMBL | 1 » 0 |