4-[(4'-nitro[1,1'-biphenyl]-4-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(4'-nitro[1,1'-biphenyl]-4-yl)amino]-4-oxobut-2-enoic acid
4-[(4'-nitro[1,1'-biphenyl]-4-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 2170-0064 |
| Compound Name: | 4-[(4'-nitro[1,1'-biphenyl]-4-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C16 H12 N2 O5 |
| Smiles: | C(=C/C(Nc1ccc(cc1)c1ccc(cc1)[N+]([O-])=O)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2835 |
| logD: | -1.1749 |
| logSw: | -3.707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.882 |
| InChI Key: | URZIPQUZRRJBQQ-UHFFFAOYSA-N |