(E)-3-(4-morpholin-4-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
Formula:C23H20N2O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-3-(4-morpholin-4-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-morpholin-4-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C23H20N2O |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C/c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C23H20N2O/c24-17-22(21-8-7-19-3-1-2-4-20(19)16-21)15-18-5-9-23(10-6-18)25-11-13-26-14-12-25/h1-10,15-16H,11-14H2 |
| InChIK | IINRFLAWOAACPP-UHFFFAOYSA-N |
| TotalMolweight | 340.425 |
| Molweight | 340.425 |
| MonoisotopicMass | 340.157563 |
| CLogP | 4.196 |
| CLogS | -5.338 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.88 |
| Relative PSA | 0.098267 |
| PolarSurfaceArea | 36.26 |
| Druglikeness | -2.7976 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| 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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