(E)-3-phenyl-1-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]prop-2-en-1-one
Formula:C24H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenyl-1-[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]prop-2-en-1-one |
| MolecularFormula | C24H17NO2 |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)ccc1-c1cnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C24H17NO2/c26-22(16-11-18-7-3-1-4-8-18)19-12-14-20(15-13-19)23-17-25-24(27-23)21-9-5-2-6-10-21/h1-17H |
| InChIK | VABQCQRYZLCAMU-UHFFFAOYSA-N |
| TotalMolweight | 351.404 |
| Molweight | 351.404 |
| MonoisotopicMass | 351.125929 |
| CLogP | 5.2694 |
| CLogS | -7.212 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.24 |
| Relative PSA | 0.13364 |
| PolarSurfaceArea | 43.1 |
| Druglikeness | 0.9163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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