Molecule ID: mol17985

SMILES: O=C1CCCc2nc3c(ccn4ccnc34)cc21

InChI: InChI=1S/C14H11N3O/c18-12-3-1-2-11-10(12)8-9-4-6-17-7-5-15-14(17)13(9)16-11/h4-8H,1-3H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.00 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization