Molecule ID: mol37715

SMILES: N[C@H](CCC[C@H](N)C(=O)O)C(=O)NNC(=O)Oc1ccccc1

InChI: InChI=1S/C14H20N4O5/c15-10(7-4-8-11(16)13(20)21)12(19)17-18-14(22)23-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,15-16H2,(H,17,19)(H,18,22)(H,20,21)/t10-,11+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.10 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization