(4Z)-2-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
Formula:C22H15NO2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(4Z)-2-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-naphthalen-1-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one |
| MolecularFormula | C22H15NO2 |
| Smiles | O=C1OC(c2cccc3ccccc23)=N/C1=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H15NO2/c24-22-20(15-6-10-16-8-2-1-3-9-16)23-21(25-22)19-14-7-12-17-11-4-5-13-18(17)19/h1-15H |
| InChIK | FDNYXYFIEFGEIW-UHFFFAOYSA-N |
| TotalMolweight | 325.366 |
| Molweight | 325.366 |
| MonoisotopicMass | 325.110279 |
| CLogP | 4.4428 |
| CLogS | -5.837 |
| H Acceptors | 3 |
| TotalSurfaceArea | 256.05 |
| Relative PSA | 0.13493 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.1342 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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