(5Z)-5-(furan-2-ylmethylidene)-3-pyridin-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13H8N2O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(furan-2-ylmethylidene)-3-pyridin-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(furan-2-ylmethylidene)-3-pyridin-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H8N2O2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccco2)N1c1ncccc1 |
| InChI | InChI=1S/C13H8N2O2S2/c16-12-10(8-9-4-3-7-17-9)19-13(18)15(12)11-5-1-2-6-14-11/h1-8H |
| InChIK | DCFXGZOMCFZMRA-UHFFFAOYSA-N |
| TotalMolweight | 288.351 |
| Molweight | 288.351 |
| MonoisotopicMass | 288.002718 |
| CLogP | 1.4315 |
| CLogS | -4.395 |
| H Acceptors | 4 |
| TotalSurfaceArea | 210.93 |
| Relative PSA | 0.41322 |
| PolarSurfaceArea | 103.73 |
| Druglikeness | 2.5859 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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