Molecule ID: mol11987
SMILES: CC(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O
InChI: InChI=1S/C14H20N6O6/c1-8(21)16-4-11(22)17-5-12(23)18-6-13(24)20-10(14(25)26)2-9-3-15-7-19-9/h3,7,10H,2,4-6H2,1H3,(H,15,19)(H,16,21)(H,17,22)(H,18,23)(H,20,24)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 7.21 | IUPAC digitized pKa | 0 » -1 |