(5E)-3-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H12NOClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H12NOClS2 |
| Smiles | O=C(/C(/SC1=S)=C\C=C\c2ccccc2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C18H12ClNOS2/c19-14-9-5-10-15(12-14)20-17(21)16(23-18(20)22)11-4-8-13-6-2-1-3-7-13/h1-12H |
| InChIK | OPGSMMCYSIXAKH-UHFFFAOYSA-N |
| TotalMolweight | 357.884 |
| Molweight | 357.884 |
| MonoisotopicMass | 357.004881 |
| CLogP | 4.1549 |
| CLogS | -6.031 |
| H Acceptors | 2 |
| TotalSurfaceArea | 264.4 |
| Relative PSA | 0.2348 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 3.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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