Molecule ID: mol31777

SMILES: O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O

InChI: InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.49 OCHEM 0 » -1
3.49 OCHEM 0 » -1
3.49 OCHEM 0 » -1
3.49 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization