(5E)-3-benzoyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10NO2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzoyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzoyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10NO2FS2 |
| Smiles | O=C(c1ccccc1)N(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=S |
| InChI | InChI=1S/C17H10FNO2S2/c18-13-8-6-11(7-9-13)10-14-16(21)19(17(22)23-14)15(20)12-4-2-1-3-5-12/h1-10H |
| InChIK | OKXDVYMUWAEXFA-UHFFFAOYSA-N |
| TotalMolweight | 343.401 |
| Molweight | 343.401 |
| MonoisotopicMass | 343.013697 |
| CLogP | 2.9984 |
| CLogS | -4.904 |
| H Acceptors | 3 |
| TotalSurfaceArea | 246.58 |
| Relative PSA | 0.30465 |
| PolarSurfaceArea | 94.77 |
| Druglikeness | 1.427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzoyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzoyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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