Molecule ID: 4164

IUPAC Name: 2-(10-methylphenothiazin-2-yl)acetic acid

Description: The molecule is phenothiazine substituted at nitrogen by a methyl group and at C-2 by a carboxymethyl group. It has a role as a non-steroidal anti-inflammatory drug and a drug allergen. It derives from a 10H-phenothiazine.

SMILES: CN1c2ccccc2Sc2ccc(CC(=O)O)cc21

SELFIES: [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][C]

InChI: InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 65.8 Ų
- LogP: 3.4