(E)-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
Formula:C13H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C13H15NO3S |
| Smiles | O=C(/C=C/c1ccccc1)NC(CC1)CS1(=O)=O |
| InChI | InChI=1S/C13H15NO3S/c15-13(7-6-11-4-2-1-3-5-11)14-12-8-9-18(16,17)10-12/h1-7,12H,8-10H2,(H,14,15)/t12-/m1/s1 |
| InChIK | ISTCODLRPRHJKI-GFCCVEGCSA-N |
| TotalMolweight | 265.332 |
| Molweight | 265.332 |
| MonoisotopicMass | 265.077264 |
| CLogP | 0.7913 |
| CLogS | -2.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.83 |
| Relative PSA | 0.26831 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | -3.2583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(1,1-dioxothiolan-3-yl)-3-phenylprop-2-enamide
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