(4E)-2-(2-chloro-5-iodophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H8NO2ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(2-chloro-5-iodophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4E)-2-(2-chloro-5-iodophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H8NO2ClI2 |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(cccc1)c1I |
| InChI | InChI=1S/C16H8ClI2NO2/c17-12-6-5-10(18)8-11(12)15-20-14(16(21)22-15)7-9-3-1-2-4-13(9)19/h1-8H |
| InChIK | OOQIRPRHJCLZRV-UHFFFAOYSA-N |
| TotalMolweight | 535.498 |
| Molweight | 535.498 |
| MonoisotopicMass | 534.833302 |
| CLogP | 4.072 |
| CLogS | -6.687 |
| H Acceptors | 3 |
| TotalSurfaceArea | 262.93 |
| Relative PSA | 0.1314 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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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