2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
Formula:C16H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole |
| MolecularFormula | C16H10N2O2 |
| Smiles | C(c1nc(cccc2)c2o1)=C/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C16H10N2O2/c1-3-7-13-11(5-1)17-15(19-13)9-10-16-18-12-6-2-4-8-14(12)20-16/h1-10H |
| InChIK | ABEOQSWLOAHSPF-UHFFFAOYSA-N |
| TotalMolweight | 262.267 |
| Molweight | 262.267 |
| MonoisotopicMass | 262.074228 |
| CLogP | 3.6692 |
| CLogS | -4.01 |
| H Acceptors | 4 |
| TotalSurfaceArea | 205.62 |
| Relative PSA | 0.24395 |
| PolarSurfaceArea | 52.06 |
| Druglikeness | -0.56397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole | 2 - 2-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
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