Molecule ID: mol19334
SMILES: CC1CCN(C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChI: InChI=1S/C22H31N5O3S/c1-16-10-13-27(14-11-16)21(28)20(7-4-12-25-22(23)24)26-31(29,30)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-9,15-16,20,26H,4,7,10-14H2,1H3,(H4,23,24,25)/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.00 | Baltruschat ChEMBL | -1 » -2 |