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Specification
The PubChem CID for [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 710295.
The molecular formula of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is C10H10FNO3S.
The molecular weight of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 243.26 g/mol.
The IUPAC name of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid.
The InChI of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is InChI=1S/C10H10FNO3S/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
The InChIKey of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is HCXVWZPKHSIFDX-UHFFFAOYSA-N.
The canonical SMILES of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is C1=CC(=CC=C1NC(=O)CSCC(=O)O)F.
The XLogP3-AA value of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 1.5.
The hydrogen bond donor count of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 2.
The hydrogen bond acceptor count of [(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 5.