(4Z)-2-(3-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
Formula:C23H16NO3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(3-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(3-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H16NO3I |
| Smiles | O=C1OC(c2cccc(I)c2)=N/C1=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H16INO3/c24-19-8-4-7-18(14-19)22-25-21(23(26)28-22)13-16-9-11-20(12-10-16)27-15-17-5-2-1-3-6-17/h1-14H,15H2 |
| InChIK | IBPLTXDBSNCONP-UHFFFAOYSA-N |
| TotalMolweight | 481.284 |
| Molweight | 481.284 |
| MonoisotopicMass | 481.017492 |
| CLogP | 4.377 |
| CLogS | -6.276 |
| H Acceptors | 4 |
| TotalSurfaceArea | 304.75 |
| Relative PSA | 0.14619 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | 1.2738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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