Molecule ID: mol18314

SMILES: Nc1c2ccccc2nc2c(C(=O)NCCN3CCCCC3)cccc12

InChI: InChI=1S/C21H24N4O/c22-19-15-7-2-3-10-18(15)24-20-16(19)8-6-9-17(20)21(26)23-11-14-25-12-4-1-5-13-25/h2-3,6-10H,1,4-5,11-14H2,(H2,22,24)(H,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization