(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H14N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H14N2O2S |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cccs1 |
| InChI | InChI=1S/C13H14N2O2S/c14-8-10(7-12-4-2-6-18-12)13(16)15-9-11-3-1-5-17-11/h2,4,6-7,11H,1,3,5,9H2,(H,15,16)/t11-/m1/s1 |
| InChIK | OAXOEQIIUUDNSZ-LLVKDONJSA-N |
| TotalMolweight | 262.332 |
| Molweight | 262.332 |
| MonoisotopicMass | 262.077598 |
| CLogP | 1.446 |
| CLogS | -2.958 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.87 |
| Relative PSA | 0.32757 |
| PolarSurfaceArea | 90.36 |
| Druglikeness | -1.1424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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