1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4925 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 297.26 |
| Molecular Formula: | C16 H11 N O5 |
| Smiles: | C1Oc2ccc(cc2O1)C(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6565 |
| logD: | 3.6565 |
| logSw: | -4.0576 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.711 |
| InChI Key: | DXIFNBLJXZHOGP-UHFFFAOYSA-N |