Molecule ID: mol28165
SMILES: Cn1c(NC=O)ccc1C(=O)Nc1c[nH]c(C(=O)Nc2c[nH]c(C(=O)NCCC(=N)N)c2)c1
InChI: InChI=1S/C20H23N9O4/c1-29-15(2-3-17(29)26-10-30)20(33)28-12-7-14(25-9-12)19(32)27-11-6-13(24-8-11)18(31)23-5-4-16(21)22/h2-3,6-10,24-25H,4-5H2,1H3,(H3,21,22)(H,23,31)(H,26,30)(H,27,32)(H,28,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.20 | AttenGpKa training set | 0 » -1 |