(5Z)-5-[(4-chlorophenyl)methylidene]-3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13H10NOClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H10NOClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)N(C2CC2)C1=S |
| InChI | InChI=1S/C13H10ClNOS2/c14-9-3-1-8(2-4-9)7-11-12(16)15(10-5-6-10)13(17)18-11/h1-4,7,10H,5-6H2 |
| InChIK | RVXACXPLFMARGJ-UHFFFAOYSA-N |
| TotalMolweight | 295.813 |
| Molweight | 295.813 |
| MonoisotopicMass | 294.989231 |
| CLogP | 2.5328 |
| CLogS | -4.638 |
| H Acceptors | 2 |
| TotalSurfaceArea | 204.66 |
| Relative PSA | 0.30333 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 3.3609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one
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