3-(3-bromophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Formula:C16H11N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-bromophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 3-(3-bromophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole |
| MolecularFormula | C16H11N2OBr |
| Smiles | Brc1cc(-c2noc(/C=C/c3ccccc3)n2)ccc1 |
| InChI | InChI=1S/C16H11BrN2O/c17-14-8-4-7-13(11-14)16-18-15(20-19-16)10-9-12-5-2-1-3-6-12/h1-11H |
| InChIK | NNEMWWNVOOAVMJ-UHFFFAOYSA-N |
| TotalMolweight | 327.18 |
| Molweight | 327.18 |
| MonoisotopicMass | 326.005474 |
| CLogP | 4.4109 |
| CLogS | -5.489 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.12 |
| Relative PSA | 0.16014 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | -0.5101 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3-bromophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole | 2 - 3-(3-bromophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off