(5Z)-3-benzoyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H13NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzoyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzoyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H13NO2S2 |
| Smiles | O=C(c1ccccc1)N(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C19H13NO2S2/c21-17(15-11-5-2-6-12-15)20-18(22)16(24-19(20)23)13-7-10-14-8-3-1-4-9-14/h1-13H |
| InChIK | PAOYKXQOFNJAGX-UHFFFAOYSA-N |
| TotalMolweight | 351.449 |
| Molweight | 351.449 |
| MonoisotopicMass | 351.038769 |
| CLogP | 3.5542 |
| CLogS | -4.902 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.73 |
| Relative PSA | 0.28163 |
| PolarSurfaceArea | 94.77 |
| Druglikeness | 2.9739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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