4-[(E)-3-cyclohexyl-1-phenylprop-2-enyl]morpholine
Formula:C19H27NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-cyclohexyl-1-phenylprop-2-enyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-3-cyclohexyl-1-phenylprop-2-enyl]morpholine |
| MolecularFormula | C19H27NO |
| Smiles | C(CC1)CCC1/C=C/C(c1ccccc1)N1CCOCC1 |
| InChI | InChI=1S/C19H27NO/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)20-13-15-21-16-14-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16H2/t19-/m0/s1 |
| InChIK | RNYTXTWVGSLTHJ-IBGZPJMESA-N |
| TotalMolweight | 285.429 |
| Molweight | 285.429 |
| MonoisotopicMass | 285.209264 |
| CLogP | 3.5389 |
| CLogS | -2.906 |
| H Acceptors | 2 |
| TotalSurfaceArea | 241.9 |
| Relative PSA | 0.056015 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | -3.315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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