(E)-1-(4-morpholin-4-ylphenyl)-3-naphthalen-1-ylprop-2-en-1-one
Formula:C23H21NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-morpholin-4-ylphenyl)-3-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-morpholin-4-ylphenyl)-3-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C23H21NO2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C23H21NO2/c25-23(13-10-19-6-3-5-18-4-1-2-7-22(18)19)20-8-11-21(12-9-20)24-14-16-26-17-15-24/h1-13H,14-17H2 |
| InChIK | GEJLDMJSTHVVQD-UHFFFAOYSA-N |
| TotalMolweight | 343.425 |
| Molweight | 343.425 |
| MonoisotopicMass | 343.157229 |
| CLogP | 4.1672 |
| CLogS | -5.549 |
| H Acceptors | 3 |
| TotalSurfaceArea | 273.71 |
| Relative PSA | 0.097147 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 2.1759 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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