(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C18H9NO2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C18H9NO2Cl4 |
| Smiles | O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H9Cl4NO2/c19-12-6-4-10(8-14(12)21)9-15-18(24)25-16(23-15)7-5-11-2-1-3-13(20)17(11)22/h1-9H |
| InChIK | QWWJFBMVHOCCOG-UHFFFAOYSA-N |
| TotalMolweight | 413.086 |
| Molweight | 413.086 |
| MonoisotopicMass | 410.938737 |
| CLogP | 5.3703 |
| CLogS | -7.233 |
| H Acceptors | 3 |
| TotalSurfaceArea | 283.13 |
| Relative PSA | 0.12203 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.9962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
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