3-amino-4-[(2-carboxyphenyl)sulfanyl]benzoic acid
Chemical Structure Depiction of
3-amino-4-[(2-carboxyphenyl)sulfanyl]benzoic acid
3-amino-4-[(2-carboxyphenyl)sulfanyl]benzoic acid
Compound characteristics
| Compound ID: | K784-1804 |
| Compound Name: | 3-amino-4-[(2-carboxyphenyl)sulfanyl]benzoic acid |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C14 H11 N O4 S |
| Smiles: | c1ccc(c(c1)C(O)=O)Sc1ccc(cc1N)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4089 |
| logD: | -0.8787 |
| logSw: | -3.7531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 76.879 |
| InChI Key: | UCQYGXXWVPIOKB-UHFFFAOYSA-N |