5-(2-bromo-4-methylanilino)-5-oxopentanoic acid
Chemical Structure Depiction of
5-(2-bromo-4-methylanilino)-5-oxopentanoic acid
5-(2-bromo-4-methylanilino)-5-oxopentanoic acid
Compound characteristics
| Compound ID: | R034-0131 |
| Compound Name: | 5-(2-bromo-4-methylanilino)-5-oxopentanoic acid |
| Molecular Weight: | 300.15 |
| Molecular Formula: | C12 H14 Br N O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6115 |
| logD: | -0.9857 |
| logSw: | -1.9595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.074 |
| InChI Key: | FEQMDQVAXCJPDF-UHFFFAOYSA-N |