2-[(E)-2-(furan-2-yl)ethenyl]-1,3-benzoxazole
Formula:C13H9NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-1,3-benzoxazole |
| MolecularFormula | C13H9NO2 |
| Smiles | C(c1ccco1)=C/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C13H9NO2/c1-2-6-12-11(5-1)14-13(16-12)8-7-10-4-3-9-15-10/h1-9H |
| InChIK | KXTNFNKUJUAZGS-UHFFFAOYSA-N |
| TotalMolweight | 211.219 |
| Molweight | 211.219 |
| MonoisotopicMass | 211.063329 |
| CLogP | 2.9566 |
| CLogS | -3.563 |
| H Acceptors | 3 |
| TotalSurfaceArea | 172.26 |
| Relative PSA | 0.2275 |
| PolarSurfaceArea | 39.17 |
| Druglikeness | -0.46956 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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