(E)-1-phenyl-3-pyrrolidin-1-ylprop-2-en-1-one
Formula:C13H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-pyrrolidin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-pyrrolidin-1-ylprop-2-en-1-one |
| MolecularFormula | C13H15NO |
| Smiles | O=C(/C=C/N1CCCC1)c1ccccc1 |
| InChI | InChI=1S/C13H15NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-8,11H,4-5,9-10H2 |
| InChIK | WYSYREZQTVOTLS-UHFFFAOYSA-N |
| TotalMolweight | 201.268 |
| Molweight | 201.268 |
| MonoisotopicMass | 201.115364 |
| CLogP | 1.8233 |
| CLogS | -2.603 |
| H Acceptors | 2 |
| TotalSurfaceArea | 169.35 |
| Relative PSA | 0.097963 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.7469 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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