Molecule ID: 25201508

IUPAC Name: (2R)-2-azaniumyl-3-(4-bromophenyl)sulfanylpropanoate

Description: The molecule is an amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of S-(4-bromophenyl)-L-cysteine; major species at pH 7.3. It is a tautomer of a S-(4-bromophenyl)-L-cysteine.

SMILES: N[C@@H](CSc1ccc(Br)cc1)C(=O)O

SELFIES: [N][C@@H1][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H10BrNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 0.2