(5Z)-5-[(4-chloroanilino)methylidene]-3-(4-chlorophenyl)-1-oxo-1,3-thiazolidin-4-one
Formula:C16H12N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chloroanilino)methylidene]-3-(4-chlorophenyl)-1-oxo-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-chloroanilino)methylidene]-3-(4-chlorophenyl)-1-oxo-1,3-thiazolidin-4-one |
| MolecularFormula | C16H12N2O2Cl2S |
| Smiles | O=C(/C(/S(C1)=O)=C/Nc(cc2)ccc2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H14Cl2N2O2S/c17-11-1-5-13(6-2-11)19-9-15-16(21)20(10-23(15)22)14-7-3-12(18)4-8-14/h1-9,19H,10,23H2 |
| InChIK | YDUBLIRVXBNSAX-UHFFFAOYSA-N |
| TotalMolweight | 367.255 |
| Molweight | 367.255 |
| MonoisotopicMass | 365.999652 |
| CLogP | 2.6216 |
| CLogS | -5.12 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.06 |
| Relative PSA | 0.20222 |
| PolarSurfaceArea | 68.62 |
| Druglikeness | 2.7512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(4-chloroanilino)methylidene]-3-(4-chlorophenyl)-1-oxo-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-chloroanilino)methylidene]-3-(4-chlorophenyl)-1-oxo-1,3-thiazolidin-4-one
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