Molecule ID: mol18137
SMILES: Cc1nc2c3c(ccn2c1C)CCC(c1ccccc1)O3
InChI: InChI=1S/C18H18N2O/c1-12-13(2)20-11-10-15-8-9-16(14-6-4-3-5-7-14)21-17(15)18(20)19-12/h3-7,10-11,16H,8-9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | OCHEM | 1 » 0 |
| 7.73 | Baltruschat ChEMBL | 1 » 0 |