Molecule ID: mol18143

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CN(C)C)CCC(c1ccccc1)O3

InChI: InChI=1S/C23H28N4O2/c1-15-19(14-25(2)3)27-13-18(23(28)26(4)5)17-11-12-20(16-9-7-6-8-10-16)29-21(17)22(27)24-15/h6-10,13,20H,11-12,14H2,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization