2-[(E)-2-phenylethenyl]-1,3-benzoxazole
Formula:C15H11NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1,3-benzoxazole |
| MolecularFormula | C15H11NO |
| Smiles | C(c1nc(cccc2)c2o1)=C/c1ccccc1 |
| InChI | InChI=1S/C15H11NO/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H |
| InChIK | GJFNNZBYCMUAHY-UHFFFAOYSA-N |
| TotalMolweight | 221.258 |
| Molweight | 221.258 |
| MonoisotopicMass | 221.084064 |
| CLogP | 3.7679 |
| CLogS | -3.881 |
| H Acceptors | 2 |
| TotalSurfaceArea | 182.57 |
| Relative PSA | 0.13737 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -0.56397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-1,3-benzoxazole | 2 - 2-[(E)-2-phenylethenyl]-1,3-benzoxazole
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