(E)-3-(furan-2-yl)-1-(3-phenylpiperidin-1-yl)prop-2-en-1-one
Formula:C18H19NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-(3-phenylpiperidin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-(3-phenylpiperidin-1-yl)prop-2-en-1-one |
| MolecularFormula | C18H19NO2 |
| Smiles | O=C(/C=C/c1ccco1)N(CCC1)CC1c1ccccc1 |
| InChI | InChI=1S/C18H19NO2/c20-18(11-10-17-9-5-13-21-17)19-12-4-8-16(14-19)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2/t16-/m0/s1 |
| InChIK | JNJPCLUPFAZISK-INIZCTEOSA-N |
| TotalMolweight | 281.354 |
| Molweight | 281.354 |
| MonoisotopicMass | 281.141579 |
| CLogP | 3.7602 |
| CLogS | -3.5 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.3 |
| Relative PSA | 0.13273 |
| PolarSurfaceArea | 33.45 |
| Druglikeness | 2.0144 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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