Molecule ID: 38988596

IUPAC Name: (2R)-2-azaniumyl-3-(6-chloro-1H-indol-3-yl)propanoate

Description: The molecule is an alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 6-chloro-D-tryptophan; major species at pH 7.3. It is a tautomer of a 6-chloro-D-tryptophan.

SMILES: N[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O

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

InChI: InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 0.4