(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C16H10N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H10N2OCl2S |
| Smiles | O=C(/C(/NC1=S)=C/c(cc2)ccc2Cl)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H10Cl2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20(16(22)19-14)13-7-5-12(18)6-8-13/h1-9H,(H,19,22) |
| InChIK | SJMHOIBGDQLPFB-UHFFFAOYSA-N |
| TotalMolweight | 349.24 |
| Molweight | 349.24 |
| MonoisotopicMass | 347.989087 |
| CLogP | 4.1889 |
| CLogS | -5.775 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.29 |
| Relative PSA | 0.22666 |
| PolarSurfaceArea | 64.43 |
| Druglikeness | 2.7831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - (5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
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