Basic information
- Standard SMILES
Nc1cc(C(=O)O)cc(S)c1Oc1ccccc1- InChIKey
WZZOFEQPOFKTFE-UHFFFAOYSA-N- Molecular formula
- C13H11NO3S
- Average molar mass
- 261.3 g/mol
Names & identifiers
- Preferred name
- 5-Amino-3-mercapto-4-phenoxybenzoic acid
- IUPAC
- 3-amino-4-phenoxy-5-sulfanylbenzoic acid
Names & synonyms
WZZOFEQPOFKTFE-UHFFFAOYSA-N5-Amino-3-mercapto-4-phenoxybenzoic acid
Database identifiers
- PubChem CID
- 21520107
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
16 records
Compound notes
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