2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoic acid
Chemical Structure Depiction of
2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoic acid
2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoic acid
Compound characteristics
| Compound ID: | 5612-0139 |
| Compound Name: | 2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoic acid |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C15 H20 N2 O6 |
| Smiles: | CCCCC(CCC(Nc1cc(ccc1O)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1026 |
| logD: | -0.2271 |
| logSw: | -2.778 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.028 |
| InChI Key: | BMZCNZLWTPUWNG-JTQLQIEISA-N |