Molecule ID: mol37110
SMILES: O=C(CCN(CCC(=O)NO)Cc1cccc(CN(CCC(=O)NO)CCC(=O)NO)c1)NO
InChI: InChI=1S/C20H32N6O8/c27-17(21-31)4-8-25(9-5-18(28)22-32)13-15-2-1-3-16(12-15)14-26(10-6-19(29)23-33)11-7-20(30)24-34/h1-3,12,31-34H,4-11,13-14H2,(H,21,27)(H,22,28)(H,23,29)(H,24,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.17 | QSARToolbox | -1 » -2 |