(4Z)-4-(1,2-dihydroacenaphthylen-3-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
Formula:C22H15NO2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(1,2-dihydroacenaphthylen-3-ylmethylidene)-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-(1,2-dihydroacenaphthylen-3-ylmethylidene)-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C22H15NO2 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1c(CC2)c3c2cccc3cc1 |
| InChI | InChI=1S/C22H15NO2/c24-22-19(23-21(25-22)16-5-2-1-3-6-16)13-17-10-9-14-7-4-8-15-11-12-18(17)20(14)15/h1-10,13H,11-12H2 |
| InChIK | SBZFFDBNXQUEOY-UHFFFAOYSA-N |
| TotalMolweight | 325.366 |
| Molweight | 325.366 |
| MonoisotopicMass | 325.110279 |
| CLogP | 4.259 |
| CLogS | -6.077 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.57 |
| Relative PSA | 0.14185 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.25362 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-(1,2-dihydroacenaphthylen-3-ylmethylidene)-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-(1,2-dihydroacenaphthylen-3-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
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