(5Z)-5-benzylidene-2-phenyl-1,3-oxazol-4-one
Formula:C16H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-2-phenyl-1,3-oxazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-2-phenyl-1,3-oxazol-4-one |
| MolecularFormula | C16H11NO2 |
| Smiles | O=C1N=C(c2ccccc2)O/C1=C\c1ccccc1 |
| InChI | InChI=1S/C16H11NO2/c18-15-14(11-12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-11H |
| InChIK | VZOZDTBBGBQEOS-UHFFFAOYSA-N |
| TotalMolweight | 249.268 |
| Molweight | 249.268 |
| MonoisotopicMass | 249.078979 |
| CLogP | 2.5918 |
| CLogS | -3.919 |
| H Acceptors | 3 |
| TotalSurfaceArea | 194.95 |
| Relative PSA | 0.17722 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.99971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| 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 | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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