| MolName | (5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11N2O3ClS |
| Smiles | N=C(N(C1=O)c(cc2)cc3c2OCO3)S/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H11ClN2O3S/c18-11-3-1-10(2-4-11)7-15-16(21)20(17(19)24-15)12-5-6-13-14(8-12)23-9-22-13/h1-8,19H,9H2 |
| InChIK | HSLPRMSWCIIZBV-UHFFFAOYSA-N |
| TotalMolweight | 358.804 |
| Molweight | 358.804 |
| MonoisotopicMass | 358.01789 |
| CLogP | 3.5559 |
| CLogS | -5.259 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 245.76 |
| Relative PSA | 0.28353 |
| PolarSurfaceArea | 87.92 |
| Druglikeness | 3.5127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one