(E)-1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Formula:C15H11O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
| MolecularFormula | C15H11O3ClS |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCCO2)c(s1)ccc1Cl |
| InChI | InChI=1S/C15H11ClO3S/c16-15-6-5-14(20-15)11(17)3-1-10-2-4-12-13(9-10)19-8-7-18-12/h1-6,9H,7-8H2 |
| InChIK | UBYNKNXDVOLRCS-UHFFFAOYSA-N |
| TotalMolweight | 306.768 |
| Molweight | 306.768 |
| MonoisotopicMass | 306.011742 |
| CLogP | 3.9599 |
| CLogS | -4.785 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.65 |
| Relative PSA | 0.23984 |
| PolarSurfaceArea | 63.77 |
| Druglikeness | -4.7245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - (E)-1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one | 2 - (E)-1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
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