Molecule ID: mol15005
SMILES: COC(=O)[C@H]1[C@@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3C[C@H]2CC[C@H]1O
InChI: InChI=1S/C21H22N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,8-9,12,15,18-19,24H,6-7,10-11H2,1H3/p+1/t12-,15-,18-,19+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.69 | Datawarrior | 1 » 0 |