Molecule ID: mol18103
SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1nccc(O)c1O
InChI: InChI=1S/C22H21N3O4/c26-18-11-12-23-19(20(18)27)22(29)25-17(13-15-7-3-1-4-8-15)21(28)24-14-16-9-5-2-6-10-16/h1-12,17,27H,13-14H2,(H,23,26)(H,24,28)(H,25,29)/t17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | OCHEM | 0 » -1 |
| 6.00 | Baltruschat ChEMBL | 0 » -1 |