(5E)-3-benzoyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H9NO3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzoyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzoyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H9NO3S2 |
| Smiles | O=C(c1ccccc1)N(C(/C(/S1)=C\c2ccco2)=O)C1=S |
| InChI | InChI=1S/C15H9NO3S2/c17-13(10-5-2-1-3-6-10)16-14(18)12(21-15(16)20)9-11-7-4-8-19-11/h1-9H |
| InChIK | CTXYZPKTUCDFME-UHFFFAOYSA-N |
| TotalMolweight | 315.372 |
| Molweight | 315.372 |
| MonoisotopicMass | 315.002384 |
| CLogP | 2.0863 |
| CLogS | -4.272 |
| H Acceptors | 4 |
| TotalSurfaceArea | 229.92 |
| Relative PSA | 0.38809 |
| PolarSurfaceArea | 107.91 |
| Druglikeness | 2.5859 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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