5-bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
Chemical Structure Depiction of
5-bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
5-bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid
Compound characteristics
| Compound ID: | 6078-0175 |
| Compound Name: | 5-bromo-8-[(carboxymethyl)sulfanyl]naphthalene-1-carboxylic acid |
| Molecular Weight: | 341.18 |
| Molecular Formula: | C13 H9 Br O4 S |
| Smiles: | C(C(O)=O)Sc1ccc(c2cccc(C(O)=O)c12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9808 |
| logD: | -0.6569 |
| logSw: | -3.4929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.759 |
| InChI Key: | KAUANGMCOFRZNB-UHFFFAOYSA-N |