Molecule ID: mol37670

SMILES: NCCNCC=CC=C=O

InChI: InChI=1S/C7H12N2O/c8-4-6-9-5-2-1-3-7-10/h1-3,9H,4-6,8H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.20 QSARToolbox 2 » 1
6.54 QSARToolbox 2 » 1
9.72 QSARToolbox 1 » 0
9.87 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization