| MolName | (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H7NO3Cl2S |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)NC1=O |
| InChI | InChI=1S/C14H7Cl2NO3S/c15-8-3-7(4-9(16)5-8)11-2-1-10(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19) |
| InChIK | WPKURZHZZVWWPN-UHFFFAOYSA-N |
| TotalMolweight | 340.186 |
| Molweight | 340.186 |
| MonoisotopicMass | 338.952368 |
| CLogP | 3.6403 |
| CLogS | -6.081 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.21 |
| Relative PSA | 0.30164 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | 4.0181 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione