Molecule ID: mol38087
SMILES: CCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCCN)n1
InChI: InChI=1S/C18H27N7O2/c1-2-7-22-17(26)16(9-14-11-21-12-23-14)25-18(27)15-5-3-4-13(24-15)10-20-8-6-19/h3-5,11-12,16,20H,2,6-10,19H2,1H3,(H,21,23)(H,22,26)(H,25,27)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | QSARToolbox | 1 » 0 |