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 |