(E)-3-thiophen-2-ylprop-2-enoyl azide
Formula:C7H5N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-2-ylprop-2-enoyl azide is a drug-like molecule.
| MolName | (E)-3-thiophen-2-ylprop-2-enoyl azide |
| MolecularFormula | C7H5N3OS |
| Smiles | [N-]=[N+]=NC(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C7H5N3OS/c8-10-9-7(11)4-3-6-2-1-5-12-6/h1-5H |
| InChIK | RKEBIPZECWLWHD-UHFFFAOYSA-N |
| TotalMolweight | 179.203 |
| Molweight | 179.203 |
| MonoisotopicMass | 179.015332 |
| CLogP | 1.572 |
| CLogS | -2.34 |
| H Acceptors | 4 |
| TotalSurfaceArea | 144.09 |
| Relative PSA | 0.49129 |
| PolarSurfaceArea | 71.27 |
| Druglikeness | 0.13302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| StereoCon |
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