Molecule ID: mol17804
SMILES: CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1
InChI: InChI=1S/C27H25N3O3/c1-4-6-22(15-25(31)32)21-10-12-23(13-11-21)33-17-20-9-14-24-28-27(29-30(24)16-20)26-18(2)7-5-8-19(26)3/h5,7-14,16,22H,15,17H2,1-3H3,(H,31,32)/t22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Baltruschat ChEMBL | 0 » -1 |