(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C11H8N2O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C11H8N2O2F2S |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2OC(F)F)NC1=S |
| InChI | InChI=1S/C11H8F2N2O2S/c12-10(13)17-7-3-1-6(2-4-7)5-8-9(16)15-11(18)14-8/h1-5,10H,(H2,14,15,16,18) |
| InChIK | RCLORMKWGRSPKJ-UHFFFAOYSA-N |
| TotalMolweight | 270.259 |
| Molweight | 270.259 |
| MonoisotopicMass | 270.027454 |
| CLogP | 1.3982 |
| CLogS | -3.442 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 193.05 |
| Relative PSA | 0.38311 |
| PolarSurfaceArea | 82.45 |
| Druglikeness | -0.64156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
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