(5Z)-5-(furan-2-ylmethylidene)-3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13H8N2O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(furan-2-ylmethylidene)-3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(furan-2-ylmethylidene)-3-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H8N2O3S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccco2)N1/N=C\c1ccco1 |
| InChI | InChI=1S/C13H8N2O3S2/c16-12-11(7-9-3-1-5-17-9)20-13(19)15(12)14-8-10-4-2-6-18-10/h1-8H |
| InChIK | PAJCXPDYVFQGFD-UHFFFAOYSA-N |
| TotalMolweight | 304.35 |
| Molweight | 304.35 |
| MonoisotopicMass | 303.997633 |
| CLogP | 1.4326 |
| CLogS | -4.459 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.62 |
| Relative PSA | 0.44925 |
| PolarSurfaceArea | 116.34 |
| Druglikeness | 4.4978 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| StereoCon |
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