Molecule ID: 40429039

IUPAC Name: (2S)-2-azaniumyl-3-(5-chloro-1H-indol-3-yl)propanoate

Description: The molecule is an L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 5-chloro-L-tryptophan. It is a tautomer of a 5-chloro-L-tryptophan.

SMILES: N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 0.5