(2E)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenylacetonitrile
Formula:C17H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenylacetonitrile is a drug-like molecule.
| MolName | (2E)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenylacetonitrile |
| MolecularFormula | C17H10N2O2 |
| Smiles | N#C/C(/c1ccccc1)=C1/N=C(c2ccccc2)OC1=O |
| InChI | InChI=1S/C17H10N2O2/c18-11-14(12-7-3-1-4-8-12)15-17(20)21-16(19-15)13-9-5-2-6-10-13/h1-10H |
| InChIK | AFBHJRUXLSMCEI-UHFFFAOYSA-N |
| TotalMolweight | 274.278 |
| Molweight | 274.278 |
| MonoisotopicMass | 274.074228 |
| CLogP | 2.0578 |
| CLogS | -3.796 |
| H Acceptors | 4 |
| TotalSurfaceArea | 214.87 |
| Relative PSA | 0.2239 |
| PolarSurfaceArea | 62.45 |
| Druglikeness | -3.5664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (2E)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenylacetonitrile | 2 - (2E)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenylacetonitrile
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