(E)-3-(furan-2-yl)-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one
Formula:C17H17NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one |
| MolecularFormula | C17H17NO2 |
| Smiles | O=C(/C=C/c1ccco1)N(CC1)CC1c1ccccc1 |
| InChI | InChI=1S/C17H17NO2/c19-17(9-8-16-7-4-12-20-16)18-11-10-15(13-18)14-5-2-1-3-6-14/h1-9,12,15H,10-11,13H2/t15-/m1/s1 |
| InChIK | NCTNTNYYHWWVJD-OAHLLOKOSA-N |
| TotalMolweight | 267.327 |
| Molweight | 267.327 |
| MonoisotopicMass | 267.125929 |
| CLogP | 3.4182 |
| CLogS | -3.23 |
| H Acceptors | 3 |
| TotalSurfaceArea | 217.54 |
| Relative PSA | 0.14112 |
| PolarSurfaceArea | 33.45 |
| Druglikeness | 2.8951 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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