Molecule ID: 71772370

IUPAC Name: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of tafamidis, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a member of tafamidis.

SMILES: O=C([O-])c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][N][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][=N][=C][Ring1][P]

InChI: InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 66.2 Ų
- LogP: 4.9