6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y203-8092 |
| Compound Name: | 6-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C18 H21 N3 O5 |
| Smiles: | C1C=CCC(C1C(O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1379 |
| logD: | -0.2179 |
| logSw: | -2.5912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.129 |
| InChI Key: | XWNITNJXNUOIMR-UHFFFAOYSA-N |