Molecule ID: mol38561

SMILES: NCC(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)O

InChI: InChI=1S/C10H15N5O4/c11-2-8(16)15-7(1-6-3-12-5-14-6)10(19)13-4-9(17)18/h3,5,7H,1-2,4,11H2,(H,12,14)(H,13,19)(H,15,16)(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization