Molecule ID: mol19635
SMILES: Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChI: InChI=1S/C23H27Cl2N7O2/c1-15-14-32-19-20(27(2)23(34)28(3)21(19)33)26-22(32)31(15)9-5-8-29-10-12-30(13-11-29)17-7-4-6-16(24)18(17)25/h4,6-7,14H,5,8-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | OCHEM | 1 » 0 |
| 7.61 | Baltruschat ChEMBL | 1 » 0 |