(4E)-4-benzylidene-2-phenyl-1,3-oxazolidin-5-one
Formula:C16H13NO2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-2-phenyl-1,3-oxazolidin-5-one is a drug-like molecule.
| MolName | (4E)-4-benzylidene-2-phenyl-1,3-oxazolidin-5-one |
| MolecularFormula | C16H13NO2 |
| Smiles | O=C1OC(c2ccccc2)N/C1=C/c1ccccc1 |
| InChI | InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11,15,17H/t15-/m1/s1 |
| InChIK | ANTCRRPXOVTPPW-OAHLLOKOSA-N |
| TotalMolweight | 251.284 |
| Molweight | 251.284 |
| MonoisotopicMass | 251.094629 |
| CLogP | 2.2896 |
| CLogS | -3.407 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 195.94 |
| Relative PSA | 0.17607 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 0.8505 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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