5-(2-methyl-4-nitroanilino)-5-oxopentanoic acid
Chemical Structure Depiction of
5-(2-methyl-4-nitroanilino)-5-oxopentanoic acid
5-(2-methyl-4-nitroanilino)-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y500-7092 |
| Compound Name: | 5-(2-methyl-4-nitroanilino)-5-oxopentanoic acid |
| Molecular Weight: | 266.25 |
| Molecular Formula: | C12 H14 N2 O5 |
| Smiles: | Cc1cc(ccc1NC(CCCC(O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8059 |
| logD: | -1.7913 |
| logSw: | -2.1597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.455 |
| InChI Key: | QJTLWOPRDICLCI-UHFFFAOYSA-N |