(E)-2-(cyclopropanecarbonyl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C11H9NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(cyclopropanecarbonyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(cyclopropanecarbonyl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C11H9NOS |
| Smiles | N#C/C(/C(C1CC1)=O)=C\c1cccs1 |
| InChI | InChI=1S/C11H9NOS/c12-7-9(11(13)8-3-4-8)6-10-2-1-5-14-10/h1-2,5-6,8H,3-4H2 |
| InChIK | UOHQRTZOCVXOSZ-UHFFFAOYSA-N |
| TotalMolweight | 203.264 |
| Molweight | 203.264 |
| MonoisotopicMass | 203.040484 |
| CLogP | 2.1883 |
| CLogS | -3.244 |
| H Acceptors | 2 |
| TotalSurfaceArea | 159.89 |
| Relative PSA | 0.2937 |
| PolarSurfaceArea | 69.1 |
| Druglikeness | -1.1148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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