1-(6-amino-2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(6-amino-2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
1-(6-amino-2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8019-3549 |
| Compound Name: | 1-(6-amino-2H-1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C16 H12 N2 O5 |
| Smiles: | C1Oc2cc(C(/C=C/c3cccc(c3)[N+]([O-])=O)=O)c(cc2O1)N |
| Stereo: | ACHIRAL |
| logP: | 3.5796 |
| logD: | 3.5796 |
| logSw: | -3.9463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.807 |
| InChI Key: | ZALANPDWQAPIPG-UHFFFAOYSA-N |