5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazol-2-one
Formula:C10H8N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazol-2-one is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazol-2-one |
| MolecularFormula | C10H8N2O2 |
| Smiles | O=C1OC(/C=C/c2ccccc2)=NN1 |
| InChI | InChI=1S/C10H8N2O2/c13-10-12-11-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,12,13) |
| InChIK | SBGHYUKKYANGSC-UHFFFAOYSA-N |
| TotalMolweight | 188.186 |
| Molweight | 188.186 |
| MonoisotopicMass | 188.058578 |
| CLogP | 1.5215 |
| CLogS | -3.278 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 148.44 |
| Relative PSA | 0.30996 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.5496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazol-2-one | 2 - 5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazol-2-one
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