4-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]morpholine
Formula:C21H23NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]morpholine is a drug-like molecule.
| MolName | 4-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]morpholine |
| MolecularFormula | C21H23NO |
| Smiles | C(COCC1)N1C(/C=C/C=C/c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H23NO/c1-3-9-19(10-4-1)11-7-8-14-21(20-12-5-2-6-13-20)22-15-17-23-18-16-22/h1-14,21H,15-18H2/t21-/m0/s1 |
| InChIK | WOLWBFZQAUUEPH-NRFANRHFSA-N |
| TotalMolweight | 305.42 |
| Molweight | 305.42 |
| MonoisotopicMass | 305.177964 |
| CLogP | 3.9678 |
| CLogS | -3.12 |
| H Acceptors | 2 |
| TotalSurfaceArea | 260.36 |
| Relative PSA | 0.052043 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | 1.7746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 4-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]morpholine | 2 - 4-[(2E,4E)-1,5-diphenylpenta-2,4-dienyl]morpholine
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