(E)-1-(5-chlorothiophen-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C20H15O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-chlorothiophen-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(5-chlorothiophen-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C20H15O2ClS |
| Smiles | O=C(/C=C/c1cc(OCc2ccccc2)ccc1)c(s1)ccc1Cl |
| InChI | InChI=1S/C20H15ClO2S/c21-20-12-11-19(24-20)18(22)10-9-15-7-4-8-17(13-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2 |
| InChIK | GLIPNOXJXQINRU-UHFFFAOYSA-N |
| TotalMolweight | 354.856 |
| Molweight | 354.856 |
| MonoisotopicMass | 354.048127 |
| CLogP | 5.3292 |
| CLogS | -5.944 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.15 |
| Relative PSA | 0.15947 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | 2.1555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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