Molecule ID: mol16111
SMILES: O=c1[nH]c(=O)n(C[C@@H]2C3CCC(CC3)[C@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1
InChI: InChI=1S/C22H21F2N7O3/c23-12-5-13-14(7-26-18(13)25-6-12)19-27-8-16(24)20(29-19)28-17-11-3-1-10(2-4-11)15(17)9-31-21(32)30-22(33)34-31/h5-8,10-11,15,17H,1-4,9H2,(H,25,26)(H,27,28,29)(H,30,32,33)/t10?,11?,15-,17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 1 » 0 |