(5E)-3-(2-chlorobenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H12NO2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-chlorobenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-chlorobenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H12NO2ClS2 |
| Smiles | O=C(c(cccc1)c1Cl)N(C(/C(/S1)=C\C=C\c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C19H12ClNO2S2/c20-15-11-5-4-10-14(15)17(22)21-18(23)16(25-19(21)24)12-6-9-13-7-2-1-3-8-13/h1-12H |
| InChIK | UDGYVNDLLDXRND-UHFFFAOYSA-N |
| TotalMolweight | 385.894 |
| Molweight | 385.894 |
| MonoisotopicMass | 384.999796 |
| CLogP | 4.1602 |
| CLogS | -5.638 |
| H Acceptors | 3 |
| TotalSurfaceArea | 282.15 |
| Relative PSA | 0.26624 |
| PolarSurfaceArea | 94.77 |
| Druglikeness | 3.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-(2-chlorobenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(2-chlorobenzoyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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