(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8NOCl2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8NOCl2FS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(ccc(Cl)c2)c2Cl)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C16H8Cl2FNOS2/c17-10-5-4-9(13(18)7-10)6-14-15(21)20(16(22)23-14)12-3-1-2-11(19)8-12/h1-8H |
| InChIK | OFVWUYHCEGDFLE-UHFFFAOYSA-N |
| TotalMolweight | 384.282 |
| Molweight | 384.282 |
| MonoisotopicMass | 382.940836 |
| CLogP | 4.2051 |
| CLogS | -6.769 |
| H Acceptors | 2 |
| TotalSurfaceArea | 259.67 |
| Relative PSA | 0.23907 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 1.4896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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