(4E)-2-(4-chlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Formula:C20H12NO2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(4-chlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-chlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C20H12NO2Cl |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C20H12ClNO2/c21-16-10-8-14(9-11-16)19-22-18(20(23)24-19)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H |
| InChIK | VACHJNMHWLAXSQ-UHFFFAOYSA-N |
| TotalMolweight | 333.773 |
| Molweight | 333.773 |
| MonoisotopicMass | 333.055656 |
| CLogP | 4.3922 |
| CLogS | -6.261 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.97 |
| Relative PSA | 0.14104 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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