(E)-3-phenyl-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one
Formula:C19H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one |
| MolecularFormula | C19H19NO |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CC1c1ccccc1 |
| InChI | InChI=1S/C19H19NO/c21-19(12-11-16-7-3-1-4-8-16)20-14-13-18(15-20)17-9-5-2-6-10-17/h1-12,18H,13-15H2/t18-/m1/s1 |
| InChIK | FKRPYXCRUAIJQQ-GOSISDBHSA-N |
| TotalMolweight | 277.366 |
| Molweight | 277.366 |
| MonoisotopicMass | 277.146664 |
| CLogP | 4.2295 |
| CLogS | -3.548 |
| H Acceptors | 2 |
| TotalSurfaceArea | 227.85 |
| Relative PSA | 0.072811 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 3.015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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