(E)-1-(1-benzothiophen-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Formula:C17H11OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzothiophen-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzothiophen-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C17H11OClS |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c1csc2c1cccc2 |
| InChI | InChI=1S/C17H11ClOS/c18-13-8-5-12(6-9-13)7-10-16(19)15-11-20-17-4-2-1-3-14(15)17/h1-11H |
| InChIK | MHHQHUHFNCVROJ-UHFFFAOYSA-N |
| TotalMolweight | 298.792 |
| Molweight | 298.792 |
| MonoisotopicMass | 298.021912 |
| CLogP | 4.7488 |
| CLogS | -5.815 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.23 |
| Relative PSA | 0.14962 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 1.5119 |
| 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 | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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