(E)-2,3-diphenyl-1-pyrrolidin-1-ylprop-2-en-1-one
Formula:C19H19NO
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-2,3-diphenyl-1-pyrrolidin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2,3-diphenyl-1-pyrrolidin-1-ylprop-2-en-1-one |
| MolecularFormula | C19H19NO |
| Smiles | O=C(/C(/c1ccccc1)=C/c1ccccc1)N1CCCC1 |
| InChI | InChI=1S/C19H19NO/c21-19(20-13-7-8-14-20)18(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2 |
| InChIK | UGNUSIUSZCEOTN-UHFFFAOYSA-N |
| TotalMolweight | 277.366 |
| Molweight | 277.366 |
| MonoisotopicMass | 277.146664 |
| CLogP | 3.8219 |
| CLogS | -3.272 |
| H Acceptors | 2 |
| TotalSurfaceArea | 227.32 |
| Relative PSA | 0.072981 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 4.7131 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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