(4Z)-2-benzyl-4-benzylidene-1,3-oxazol-5-one
Formula:C17H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-benzyl-4-benzylidene-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-benzyl-4-benzylidene-1,3-oxazol-5-one |
| MolecularFormula | C17H13NO2 |
| Smiles | O=C1OC(Cc2ccccc2)=N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C17H13NO2/c19-17-15(11-13-7-3-1-4-8-13)18-16(20-17)12-14-9-5-2-6-10-14/h1-11H,12H2 |
| InChIK | CUIIFPJNHZJTPD-UHFFFAOYSA-N |
| TotalMolweight | 263.295 |
| Molweight | 263.295 |
| MonoisotopicMass | 263.094629 |
| CLogP | 2.6152 |
| CLogS | -3.884 |
| H Acceptors | 3 |
| TotalSurfaceArea | 208.71 |
| Relative PSA | 0.16554 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.90926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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