(4Z)-2-(3-iodophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9N2O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(3-iodophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(3-iodophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9N2O4I |
| Smiles | [O-][N+](c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1)=O |
| InChI | InChI=1S/C16H9IN2O4/c17-12-3-1-2-11(9-12)15-18-14(16(20)23-15)8-10-4-6-13(7-5-10)19(21)22/h1-9H |
| InChIK | IUKMUMXMLMMIDM-UHFFFAOYSA-N |
| TotalMolweight | 420.157 |
| Molweight | 420.157 |
| MonoisotopicMass | 419.960706 |
| CLogP | 2.1073 |
| CLogS | -5.395 |
| H Acceptors | 6 |
| TotalSurfaceArea | 244.9 |
| Relative PSA | 0.26529 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -3.601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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