(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C14H8N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C14H8N2O2Cl2S |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)NC1=S |
| InChI | InChI=1S/C14H8Cl2N2O2S/c15-9-3-1-7(5-10(9)16)12-4-2-8(20-12)6-11-13(19)18-14(21)17-11/h1-6H,(H2,17,18,19,21) |
| InChIK | FYXULBBAJZXNDR-UHFFFAOYSA-N |
| TotalMolweight | 339.202 |
| Molweight | 339.202 |
| MonoisotopicMass | 337.968352 |
| CLogP | 3.3797 |
| CLogS | -5.752 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 238.14 |
| Relative PSA | 0.32783 |
| PolarSurfaceArea | 86.36 |
| Druglikeness | 3.2436 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
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