2-[(E)-2-(4-phenylphenyl)ethenyl]-1,3-benzoxazole
Formula:C21H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-phenylphenyl)ethenyl]-1,3-benzoxazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-phenylphenyl)ethenyl]-1,3-benzoxazole |
| MolecularFormula | C21H15NO |
| Smiles | C(c1nc(cccc2)c2o1)=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15NO/c1-2-6-17(7-3-1)18-13-10-16(11-14-18)12-15-21-22-19-8-4-5-9-20(19)23-21/h1-15H |
| InChIK | IDZBUBKMJYPYCV-UHFFFAOYSA-N |
| TotalMolweight | 297.356 |
| Molweight | 297.356 |
| MonoisotopicMass | 297.115364 |
| CLogP | 5.4271 |
| CLogS | -5.967 |
| H Acceptors | 2 |
| TotalSurfaceArea | 242.33 |
| Relative PSA | 0.1035 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -0.56397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-phenylphenyl)ethenyl]-1,3-benzoxazole | 2 - 2-[(E)-2-(4-phenylphenyl)ethenyl]-1,3-benzoxazole
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