Molecule ID: mol17902
SMILES: O=c1[nH]ccc(N[C@H]2CC[C@@H](NCCF)CC2)c1-c1nc2ccccc2[nH]1
InChI: InChI=1S/C20H24FN5O/c21-10-12-22-13-5-7-14(8-6-13)24-17-9-11-23-20(27)18(17)19-25-15-3-1-2-4-16(15)26-19/h1-4,9,11,13-14,22H,5-8,10,12H2,(H,25,26)(H2,23,24,27)/t13-,14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Baltruschat ChEMBL | 1 » 0 |