Molecule ID: mol8545
SMILES: NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
InChI: InChI=1S/C10H16N6O3/c11-2-8(17)14-4-9(18)16-7(10(12)19)1-6-3-13-5-15-6/h3,5,7H,1-2,4,11H2,(H2,12,19)(H,13,15)(H,14,17)(H,16,18)/t7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.61 | IUPAC digitized pKa | 2 » 1 |
| 8.11 | IUPAC digitized pKa | 1 » 0 |