Molecule ID: mol14408
SMILES: O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5C2[C@@]3(S(=O)(=O)O)C[C@H]46
InChI: InChI=1S/C21H22N2O5S/c24-17-9-15-18-19-20(13-3-1-2-4-14(13)23(17)19)6-7-22-11-12(5-8-28-15)21(18,10-16(20)22)29(25,26)27/h1-5,15-16,18-19H,6-11H2,(H,25,26,27)/t15-,16-,18?,19-,20-,21+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.53 | Datawarrior | 0 » -1 |