(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C10H6N2OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C10H6N2OClFS |
| Smiles | O=C(/C(/N1)=C/c(c(F)ccc2)c2Cl)NC1=S |
| InChI | InChI=1S/C10H6ClFN2OS/c11-6-2-1-3-7(12)5(6)4-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16) |
| InChIK | VSLRVRCQMOQRLI-UHFFFAOYSA-N |
| TotalMolweight | 256.688 |
| Molweight | 256.688 |
| MonoisotopicMass | 255.987338 |
| CLogP | 1.9356 |
| CLogS | -3.87 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 179.62 |
| Relative PSA | 0.35609 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | 0.84833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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