Molecule ID: mol2606
SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc21
InChI: InChI=1S/C26H25ClN6O4/c1-14(2)11-32-23-21(24(34)31(4)26(32)37)22(20-9-16(25(35)36)12-30(20)3)33(29-23)13-15-7-8-28-19-6-5-17(27)10-18(15)19/h5-10,12,14H,11,13H2,1-4H3,(H,35,36)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | Manchester | 1 » 0 |