(4E)-2-(2-chloro-5-iodophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H7NO2Cl3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(2-chloro-5-iodophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2-chloro-5-iodophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H7NO2Cl3I |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H7Cl3INO2/c17-9-2-1-8(13(19)6-9)5-14-16(22)23-15(21-14)11-7-10(20)3-4-12(11)18/h1-7H |
| InChIK | KKYSIYKXQRQATI-UHFFFAOYSA-N |
| TotalMolweight | 478.496 |
| Molweight | 478.496 |
| MonoisotopicMass | 476.858708 |
| CLogP | 4.8469 |
| CLogS | -7.143 |
| H Acceptors | 3 |
| TotalSurfaceArea | 267.49 |
| Relative PSA | 0.12916 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4E)-2-(2-chloro-5-iodophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(2-chloro-5-iodophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
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