(E)-N-(2-oxothiolan-3-yl)-3-phenylprop-2-enamide
Formula:C13H13NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-oxothiolan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-oxothiolan-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C13H13NO2S |
| Smiles | O=C(/C=C/c1ccccc1)NC(CCS1)C1=O |
| InChI | InChI=1S/C13H13NO2S/c15-12(14-11-8-9-17-13(11)16)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,14,15)/t11-/m1/s1 |
| InChIK | GQRRXUHFGGSCQX-LLVKDONJSA-N |
| TotalMolweight | 247.317 |
| Molweight | 247.317 |
| MonoisotopicMass | 247.066699 |
| CLogP | 1.2253 |
| CLogS | -2.242 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 190.73 |
| Relative PSA | 0.28852 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | 0.49211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-(2-oxothiolan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(2-oxothiolan-3-yl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off