(E)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one
Formula:C19H19N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-fluorophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one |
| MolecularFormula | C19H19N2O2F |
| Smiles | O=C(/C=C/Nc(cc1)ccc1N1CCOCC1)c(cc1)ccc1F |
| InChI | InChI=1S/C19H19FN2O2/c20-16-3-1-15(2-4-16)19(23)9-10-21-17-5-7-18(8-6-17)22-11-13-24-14-12-22/h1-10,21H,11-14H2 |
| InChIK | KSIFTWWNZBMFTG-UHFFFAOYSA-N |
| TotalMolweight | 326.37 |
| Molweight | 326.37 |
| MonoisotopicMass | 326.143056 |
| CLogP | 2.2443 |
| CLogS | -4.203 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.92 |
| Relative PSA | 0.1481 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 0.83746 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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