(5E)-3-benzyl-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H11NOCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11NOCl2S2 |
| Smiles | O=C(/C(/S1)=C\c2cccc(Cl)c2Cl)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C17H11Cl2NOS2/c18-13-8-4-7-12(15(13)19)9-14-16(21)20(17(22)23-14)10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIK | UONLAQCUVFSHNF-UHFFFAOYSA-N |
| TotalMolweight | 380.318 |
| Molweight | 380.318 |
| MonoisotopicMass | 378.965908 |
| CLogP | 4.0272 |
| CLogS | -5.933 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.08 |
| Relative PSA | 0.23244 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 4.005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[(2,3-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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