5-[3-(4-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-[3-(4-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylic acid
5-[3-(4-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8009-6436 |
| Compound Name: | 5-[3-(4-nitrophenyl)prop-2-enamido]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 356.29 |
| Molecular Formula: | C17 H12 N2 O7 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8077 |
| logD: | 0.4444 |
| logSw: | -4.0872 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.314 |
| InChI Key: | ZYPNSCVSZSUYCT-UHFFFAOYSA-N |