4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzonitrile
Formula:C11H7N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzonitrile |
| MolecularFormula | C11H7N3OS2 |
| Smiles | N#Cc1ccc(/C=N\N(C(CS2)=O)C2=S)cc1 |
| InChI | InChI=1S/C11H7N3OS2/c12-5-8-1-3-9(4-2-8)6-13-14-10(15)7-17-11(14)16/h1-4,6H,7H2 |
| InChIK | ZQJJRDCQUHZHIE-UHFFFAOYSA-N |
| TotalMolweight | 261.329 |
| Molweight | 261.329 |
| MonoisotopicMass | 261.003052 |
| CLogP | 0.7774 |
| CLogS | -4.038 |
| H Acceptors | 4 |
| TotalSurfaceArea | 198.24 |
| Relative PSA | 0.43962 |
| PolarSurfaceArea | 113.85 |
| Druglikeness | -0.49528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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