(4Z)-4-[(2,4-dichlorophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one
Formula:C16H8NO2Cl2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[(2,4-dichlorophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one |
| MolecularFormula | C16H8NO2Cl2I |
| Smiles | O=C(/C1=C\c(ccc(Cl)c2)c2Cl)ON=C1c1cccc(I)c1 |
| InChI | InChI=1S/C16H8Cl2INO2/c17-11-5-4-9(14(18)8-11)7-13-15(20-22-16(13)21)10-2-1-3-12(19)6-10/h1-8H |
| InChIK | GLUXBVMSDOJSMW-UHFFFAOYSA-N |
| TotalMolweight | 444.051 |
| Molweight | 444.051 |
| MonoisotopicMass | 442.897681 |
| CLogP | 5.4398 |
| CLogS | -6.659 |
| H Acceptors | 3 |
| TotalSurfaceArea | 252.07 |
| Relative PSA | 0.13707 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.71325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54545 |
| 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 |
| StereoCon |
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1 - (4Z)-4-[(2,4-dichlorophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one | 2 - (4Z)-4-[(2,4-dichlorophenyl)methylidene]-3-(3-iodophenyl)-1,2-oxazol-5-one
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