(E)-1-(4-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
Formula:C19H19NO3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-1-(4-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one |
| MolecularFormula | C19H19NO3 |
| Smiles | Oc(cc1)ccc1C(/C=C/c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C19H19NO3/c21-18-8-4-16(5-9-18)19(22)10-3-15-1-6-17(7-2-15)20-11-13-23-14-12-20/h1-10,21H,11-14H2 |
| InChIK | HPQUWDGWGFZIFY-UHFFFAOYSA-N |
| TotalMolweight | 309.364 |
| Molweight | 309.364 |
| MonoisotopicMass | 309.136494 |
| CLogP | 2.6271 |
| CLogS | -3.647 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.46 |
| Relative PSA | 0.1617 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 2.1796 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| 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 | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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