(4E)-4-benzylidene-3-phenyl-1,3-oxazolidin-5-one
Formula:C16H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-3-phenyl-1,3-oxazolidin-5-one is a drug-like molecule.
| MolName | (4E)-4-benzylidene-3-phenyl-1,3-oxazolidin-5-one |
| MolecularFormula | C16H13NO2 |
| Smiles | O=C(/C1=C\c2ccccc2)OCN1c1ccccc1 |
| InChI | InChI=1S/C16H13NO2/c18-16-15(11-13-7-3-1-4-8-13)17(12-19-16)14-9-5-2-6-10-14/h1-11H,12H2 |
| InChIK | PQCMNPWLOIHHJO-UHFFFAOYSA-N |
| TotalMolweight | 251.284 |
| Molweight | 251.284 |
| MonoisotopicMass | 251.094629 |
| CLogP | 2.879 |
| CLogS | -4.208 |
| H Acceptors | 3 |
| TotalSurfaceArea | 196.04 |
| Relative PSA | 0.13564 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 1.3901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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