Molecule ID: mol20416

SMILES: O=C(NCCc1ccncc1)C1=CCCC1C(=O)N1CCCC1

InChI: InChI=1S/C18H23N3O2/c22-17(20-11-8-14-6-9-19-10-7-14)15-4-3-5-16(15)18(23)21-12-1-2-13-21/h4,6-7,9-10,16H,1-3,5,8,11-13H2,(H,20,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization