(4E)-2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
Formula:C14H6NO3ClI2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4E)-2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C14H6NO3ClI2 |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(o1)ccc1I |
| InChI | InChI=1S/C14H6ClI2NO3/c15-10-3-1-7(16)5-9(10)13-18-11(14(19)21-13)6-8-2-4-12(17)20-8/h1-6H |
| InChIK | ZQJHIRGNJXRYMV-UHFFFAOYSA-N |
| TotalMolweight | 525.459 |
| Molweight | 525.459 |
| MonoisotopicMass | 524.812567 |
| CLogP | 3.3581 |
| CLogS | -6.132 |
| H Acceptors | 4 |
| TotalSurfaceArea | 252.62 |
| Relative PSA | 0.19262 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 2.48 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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