(E)-1-(4-chlorophenyl)-3-(3-phenoxythiophen-2-yl)prop-2-en-1-one
Formula:C19H13O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-(3-phenoxythiophen-2-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-(3-phenoxythiophen-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H13O2ClS |
| Smiles | O=C(/C=C/c(scc1)c1Oc1ccccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H13ClO2S/c20-15-8-6-14(7-9-15)17(21)10-11-19-18(12-13-23-19)22-16-4-2-1-3-5-16/h1-13H |
| InChIK | FTTBSDFYQAREHZ-UHFFFAOYSA-N |
| TotalMolweight | 340.829 |
| Molweight | 340.829 |
| MonoisotopicMass | 340.032477 |
| CLogP | 5.172 |
| CLogS | -6.883 |
| H Acceptors | 2 |
| TotalSurfaceArea | 258.39 |
| Relative PSA | 0.16796 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | 1.6505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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