(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Formula:C18H13O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C18H13O3F3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCCO2)c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C18H13F3O3/c19-18(20,21)14-3-1-2-13(11-14)15(22)6-4-12-5-7-16-17(10-12)24-9-8-23-16/h1-7,10-11H,8-9H2 |
| InChIK | RXYAUWFGKKGERQ-UHFFFAOYSA-N |
| TotalMolweight | 334.292 |
| Molweight | 334.292 |
| MonoisotopicMass | 334.081679 |
| CLogP | 4.1309 |
| CLogS | -4.8 |
| H Acceptors | 3 |
| TotalSurfaceArea | 240.75 |
| Relative PSA | 0.13724 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -14.208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
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