(E)-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
Formula:C12H15NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C12H15NO2S |
| Smiles | O=C(/C=C/c1cccs1)NCC1OCCC1 |
| InChI | InChI=1S/C12H15NO2S/c14-12(6-5-11-4-2-8-16-11)13-9-10-3-1-7-15-10/h2,4-6,8,10H,1,3,7,9H2,(H,13,14)/t10-/m1/s1 |
| InChIK | XBRMYHOFSPOFPL-SNVBAGLBSA-N |
| TotalMolweight | 237.322 |
| Molweight | 237.322 |
| MonoisotopicMass | 237.082349 |
| CLogP | 1.594 |
| CLogS | -2.686 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 188.95 |
| Relative PSA | 0.29034 |
| PolarSurfaceArea | 66.57 |
| Druglikeness | 0.97971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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