2-[(E)-2-(3-bromophenyl)ethenyl]-1,3-benzoxazole
Formula:C15H10NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-1,3-benzoxazole |
| MolecularFormula | C15H10NOBr |
| Smiles | Brc1cc(/C=C/c2nc(cccc3)c3o2)ccc1 |
| InChI | InChI=1S/C15H10BrNO/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15/h1-10H |
| InChIK | XQCZKZDWHOTRHV-UHFFFAOYSA-N |
| TotalMolweight | 300.154 |
| Molweight | 300.154 |
| MonoisotopicMass | 298.994575 |
| CLogP | 4.4931 |
| CLogS | -4.715 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.2 |
| Relative PSA | 0.12465 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -2.354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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