Molecule ID: mol38063
SMILES: N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)[C@@H](N)Cc1ccccc1
InChI: InChI=1S/C21H28N4O2/c22-18(14-16-8-3-1-4-9-16)20(26)24-12-7-13-25-21(27)19(23)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,24,26)(H,25,27)/t18-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.66 | QSARToolbox | 1 » 0 |