Molecule ID: mol19357
SMILES: O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc(C(=O)O)cc2)no1)NO
InChI: InChI=1S/C21H27N3O5/c25-18(23-28)13-17(8-4-7-14-5-2-1-3-6-14)20-22-19(24-29-20)15-9-11-16(12-10-15)21(26)27/h9-12,14,17,28H,1-8,13H2,(H,23,25)(H,26,27)/t17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Baltruschat ChEMBL | 0 » -1 |