(5Z)-3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C16H9N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H9N2O4ClS |
| Smiles | [O-][N+](c1c(/C=C(/C(N2c(cc3)ccc3Cl)=O)\SC2=O)cccc1)=O |
| InChI | InChI=1S/C16H9ClN2O4S/c17-11-5-7-12(8-6-11)18-15(20)14(24-16(18)21)9-10-3-1-2-4-13(10)19(22)23/h1-9H |
| InChIK | PGRIGMGKOXWWJP-UHFFFAOYSA-N |
| TotalMolweight | 360.776 |
| Molweight | 360.776 |
| MonoisotopicMass | 359.997155 |
| CLogP | 2.9219 |
| CLogS | -5.828 |
| H Acceptors | 6 |
| TotalSurfaceArea | 246.61 |
| Relative PSA | 0.31442 |
| PolarSurfaceArea | 108.5 |
| Druglikeness | -1.8149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(4-chlorophenyl)-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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