(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-en-1-one
Formula:C17H14O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C17H14O3 |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H14O3/c18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)20-11-10-19-16/h1-9,12H,10-11H2 |
| InChIK | YJEIEGLLAVVHEL-UHFFFAOYSA-N |
| TotalMolweight | 266.295 |
| Molweight | 266.295 |
| MonoisotopicMass | 266.094295 |
| CLogP | 3.2826 |
| CLogS | -4.022 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.29 |
| Relative PSA | 0.15637 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -7.0175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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