5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazole-2-thione
Formula:C10H8N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazole-2-thione is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-3H-1,3,4-oxadiazole-2-thione |
| MolecularFormula | C10H8N2OS |
| Smiles | S=C1OC(/C=C/c2ccccc2)=NN1 |
| InChI | InChI=1S/C10H8N2OS/c14-10-12-11-9(13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,12,14) |
| InChIK | KNRDDHQQKURIEX-UHFFFAOYSA-N |
| TotalMolweight | 204.253 |
| Molweight | 204.253 |
| MonoisotopicMass | 204.035733 |
| CLogP | 1.882 |
| CLogS | -3.362 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 163.4 |
| Relative PSA | 0.37313 |
| PolarSurfaceArea | 65.71 |
| Druglikeness | 1.0979 |
| 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 | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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