2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]furan-2-yl]benzonitrile
Formula:C15H9N3O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]furan-2-yl]benzonitrile is a drug-like molecule.
| MolName | 2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]furan-2-yl]benzonitrile |
| MolecularFormula | C15H9N3O2S2 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\N(C(CS2)=O)C2=S)o1 |
| InChI | InChI=1S/C15H9N3O2S2/c16-7-10-3-1-2-4-12(10)13-6-5-11(20-13)8-17-18-14(19)9-22-15(18)21/h1-6,8H,9H2 |
| InChIK | ZRXCBNVYOSYKST-UHFFFAOYSA-N |
| TotalMolweight | 327.387 |
| Molweight | 327.387 |
| MonoisotopicMass | 327.013617 |
| CLogP | 1.7163 |
| CLogS | -5.498 |
| H Acceptors | 5 |
| TotalSurfaceArea | 247.69 |
| Relative PSA | 0.40882 |
| PolarSurfaceArea | 126.99 |
| Druglikeness | 2.0513 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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