(5Z)-3-cyclopentyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H14NOFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclopentyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H14NOFS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C15H14FNOS2/c16-11-7-5-10(6-8-11)9-13-14(18)17(15(19)20-13)12-3-1-2-4-12/h5-9,12H,1-4H2 |
| InChIK | UDJOVBAVOKQNBT-UHFFFAOYSA-N |
| TotalMolweight | 307.412 |
| Molweight | 307.412 |
| MonoisotopicMass | 307.050082 |
| CLogP | 2.7116 |
| CLogS | -4.756 |
| H Acceptors | 2 |
| TotalSurfaceArea | 223.11 |
| Relative PSA | 0.27825 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -0.76986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclopentyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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