Basic information
- Standard SMILES
O=C(O)Cc1ccc(-n2sc3ccccc3c2=O)cc1- InChIKey
OLDRHEVGLNOYKN-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- 2-[4-(3-Oxo-1,2-benzothiazol-2-yl)phenyl]acetic acid
- IUPAC
- 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]acetic acid
Names & synonyms
SCHEMBL70154262-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]acetic acidCHEMBL5487227OLDRHEVGLNOYKN-UHFFFAOYSA-NAKOS0200123294-(3-Oxo-3h-benzo[d]isothiazol-2-yl) phenylacetic acid4-(3-Oxo-3h-benz-[d]isothiazol-2-yl) -phenyl acetic acid4-(3-Oxo-3h-benz-[d]isothiazol-2-yl)-phenyl acetic acid4-(3-Oxo-3h-benz-[d]isothiazol-2-yl)-phenylacetic acid4-(3-Oxo-3h-benzo [d]isothiazol-2-yl) phenylacetic acidBenzeneacetic acid, 4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-
Database identifiers
- PubChem CID
- 462937
- ChEMBL
CHEMBL5487227- Nikkaji
- J754.427H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
6 records
Compound notes
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