Molecule ID: 52921618

IUPAC Name: [3-(2-amino-5-hydroxyphenyl)-3-oxopropyl]azanium

Description: The molecule is an ammonium ion that is the conjugate base of 5-hydroxykynurenamine, arising from selective protonation of the primary alkylamino function; major species at pH 7.3. It is a conjugate acid of a 5-hydroxykynurenamine.

SMILES: Nc1ccc(O)cc1C(=O)CC[NH3+]

SELFIES: [N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][NH3+1]

InChI: InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2/p+1

Molecular Properties:
- Polar Surface Area: 91.0 Ų
- LogP: 0.1