(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
Formula:C20H12NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one |
| MolecularFormula | C20H12NO3Cl |
| Smiles | O=C(/C1=C\c2ccc(-c(cc3)ccc3Cl)o2)ON=C1c1ccccc1 |
| InChI | InChI=1S/C20H12ClNO3/c21-15-8-6-13(7-9-15)18-11-10-16(24-18)12-17-19(22-25-20(17)23)14-4-2-1-3-5-14/h1-12H |
| InChIK | CDWDQAJKLAIYKU-UHFFFAOYSA-N |
| TotalMolweight | 349.772 |
| Molweight | 349.772 |
| MonoisotopicMass | 349.050571 |
| CLogP | 5.3356 |
| CLogS | -6.367 |
| H Acceptors | 4 |
| TotalSurfaceArea | 259.82 |
| Relative PSA | 0.18728 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -0.20165 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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