(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C15H11N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H11N3O2S |
| Smiles | O=C(/C=C/c1cccs1)Nc1nnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C15H11N3O2S/c19-13(9-8-12-7-4-10-21-12)16-15-18-17-14(20-15)11-5-2-1-3-6-11/h1-10H,(H,16,18,19) |
| InChIK | OXQVIJCOZALWCV-UHFFFAOYSA-N |
| TotalMolweight | 297.337 |
| Molweight | 297.337 |
| MonoisotopicMass | 297.057197 |
| CLogP | 3.1975 |
| CLogS | -5.508 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.64 |
| Relative PSA | 0.34929 |
| PolarSurfaceArea | 96.26 |
| Druglikeness | 2.7109 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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