Molecule ID: mol38131
SMILES: NCCNCc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCCC(N)=O)n1
InChI: InChI=1S/C18H26N8O3/c19-5-7-21-9-12-2-1-3-14(25-12)18(29)26-15(8-13-10-22-11-24-13)17(28)23-6-4-16(20)27/h1-3,10-11,15,21H,4-9,19H2,(H2,20,27)(H,22,24)(H,23,28)(H,26,29)/t15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | QSARToolbox | 1 » 0 |