(2E)-2-[(4-chlorophenyl)methylidene]-1-benzothiophen-3-one
Formula:C15H9OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2E)-2-[(4-chlorophenyl)methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C15H9OClS |
| Smiles | O=C1c(cccc2)c2S/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9ClOS/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H |
| InChIK | SMLJRVPSANIUBT-UHFFFAOYSA-N |
| TotalMolweight | 272.754 |
| Molweight | 272.754 |
| MonoisotopicMass | 272.006262 |
| CLogP | 3.6757 |
| CLogS | -5.492 |
| H Acceptors | 1 |
| TotalSurfaceArea | 194.89 |
| Relative PSA | 0.15665 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 1.4933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2E)-2-[(4-chlorophenyl)methylidene]-1-benzothiophen-3-one | 2 - (2E)-2-[(4-chlorophenyl)methylidene]-1-benzothiophen-3-one
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