| MolName | (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C21H15N2O3ClS |
| Smiles | Oc(cc1)c(/C=C(\C(N2Cc3ccco3)=O)/S/C2=N\c2ccccc2)cc1Cl |
| InChI | InChI=1S/C21H15ClN2O3S/c22-15-8-9-18(25)14(11-15)12-19-20(26)24(13-17-7-4-10-27-17)21(28-19)23-16-5-2-1-3-6-16/h1-12,25H,13H2 |
| InChIK | BHLOZQXHTYDGEW-UHFFFAOYSA-N |
| TotalMolweight | 410.88 |
| Molweight | 410.88 |
| MonoisotopicMass | 410.04919 |
| CLogP | 4.0499 |
| CLogS | -5.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.72 |
| Relative PSA | 0.24453 |
| PolarSurfaceArea | 91.34 |
| Druglikeness | 4.285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one