2-[(E)-2-phenylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
Formula:C14H10N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole |
| MolecularFormula | C14H10N2OS |
| Smiles | C(c1nnc(-c2cccs2)o1)=C/c1ccccc1 |
| InChI | InChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)8-9-13-15-16-14(17-13)12-7-4-10-18-12/h1-10H |
| InChIK | ZENDYEIARJRNJW-UHFFFAOYSA-N |
| TotalMolweight | 254.312 |
| Molweight | 254.312 |
| MonoisotopicMass | 254.051383 |
| CLogP | 3.6047 |
| CLogS | -4.686 |
| H Acceptors | 3 |
| TotalSurfaceArea | 202.43 |
| Relative PSA | 0.27866 |
| PolarSurfaceArea | 67.16 |
| Druglikeness | 2.5785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole | 2 - 2-[(E)-2-phenylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
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