(E)-2-morpholin-4-yl-1-naphthalen-1-yl-3-phenylprop-2-en-1-one
Formula:C23H21NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-morpholin-4-yl-1-naphthalen-1-yl-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-2-morpholin-4-yl-1-naphthalen-1-yl-3-phenylprop-2-en-1-one |
| MolecularFormula | C23H21NO2 |
| Smiles | O=C(/C(/N1CCOCC1)=C\c1ccccc1)c1cccc2ccccc12 |
| InChI | InChI=1S/C23H21NO2/c25-23(21-12-6-10-19-9-4-5-11-20(19)21)22(24-13-15-26-16-14-24)17-18-7-2-1-3-8-18/h1-12,17H,13-16H2 |
| InChIK | SVTKIEZAKSLNQO-UHFFFAOYSA-N |
| TotalMolweight | 343.425 |
| Molweight | 343.425 |
| MonoisotopicMass | 343.157229 |
| CLogP | 4.5207 |
| CLogS | -5.074 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.92 |
| Relative PSA | 0.097786 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 2.6122 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| 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 | 6 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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