(5E)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C16H11N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H11N2OClS |
| Smiles | O=C(/C(/NC1=S)=C\c(cc2)ccc2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(21)18-14)13-4-2-1-3-5-13/h1-10H,(H,18,21) |
| InChIK | NNTLJNZISPOILH-UHFFFAOYSA-N |
| TotalMolweight | 314.795 |
| Molweight | 314.795 |
| MonoisotopicMass | 314.02806 |
| CLogP | 3.5829 |
| CLogS | -5.039 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.87 |
| Relative PSA | 0.24173 |
| PolarSurfaceArea | 64.43 |
| Druglikeness | 2.7831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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