(E)-3-(3-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
Formula:C19H18NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-fluorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one |
| MolecularFormula | C19H18NO2F |
| Smiles | O=C(/C=C/c1cccc(F)c1)c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H18FNO2/c20-17-3-1-2-15(14-17)4-9-19(22)16-5-7-18(8-6-16)21-10-12-23-13-11-21/h1-9,14H,10-13H2 |
| InChIK | XYDITPWFJUVCQQ-UHFFFAOYSA-N |
| TotalMolweight | 311.355 |
| Molweight | 311.355 |
| MonoisotopicMass | 311.132157 |
| CLogP | 3.0736 |
| CLogS | -4.257 |
| H Acceptors | 3 |
| TotalSurfaceArea | 245.46 |
| Relative PSA | 0.10833 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 0.8359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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