Molecule ID: mol75
SMILES: N#Cc1ccc2c(c1)N(CCCCN1CCC(O)CC1)c1ccccc1S2
InChI: InChI=1S/C22H25N3OS/c23-16-17-7-8-22-20(15-17)25(19-5-1-2-6-21(19)27-22)12-4-3-11-24-13-9-18(26)10-14-24/h1-2,5-8,15,18,26H,3-4,9-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.76 | AvLiLuMoVe | 1 » 0 |
| 8.76 | Settimo | 1 » 0 |