(3E)-3-[(4-chlorophenyl)methylidene]-5-phenylthiophen-2-one
Formula:C17H11OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-chlorophenyl)methylidene]-5-phenylthiophen-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-chlorophenyl)methylidene]-5-phenylthiophen-2-one |
| MolecularFormula | C17H11OClS |
| Smiles | O=C1SC(c2ccccc2)=C/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H11ClOS/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H |
| InChIK | DRAVAGAJWOMELD-UHFFFAOYSA-N |
| TotalMolweight | 298.792 |
| Molweight | 298.792 |
| MonoisotopicMass | 298.021912 |
| CLogP | 4.543 |
| CLogS | -2.975 |
| H Acceptors | 1 |
| TotalSurfaceArea | 219.6 |
| Relative PSA | 0.13903 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 1.1858 |
| 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 | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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