Molecule ID: mol21132
SMILES: COCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21
InChI: InChI=1S/C21H18N2O2/c1-25-12-11-23-14-19(17-9-10-22-13-20(17)23)21(24)18-8-4-6-15-5-2-3-7-16(15)18/h2-10,13-14H,11-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | Baltruschat ChEMBL | 1 » 0 |