(2Z,4Z)-5-morpholin-4-yl-2,4-diphenylpenta-2,4-dienenitrile
Formula:C21H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z,4Z)-5-morpholin-4-yl-2,4-diphenylpenta-2,4-dienenitrile is a drug-like molecule.
| MolName | (2Z,4Z)-5-morpholin-4-yl-2,4-diphenylpenta-2,4-dienenitrile |
| MolecularFormula | C21H20N2O |
| Smiles | N#C/C(/c1ccccc1)=C\C(\c1ccccc1)=C\N1CCOCC1 |
| InChI | InChI=1S/C21H20N2O/c22-16-20(18-7-3-1-4-8-18)15-21(19-9-5-2-6-10-19)17-23-11-13-24-14-12-23/h1-10,15,17H,11-14H2 |
| InChIK | QGJAQUQIKCDSCS-UHFFFAOYSA-N |
| TotalMolweight | 316.403 |
| Molweight | 316.403 |
| MonoisotopicMass | 316.157563 |
| CLogP | 3.0235 |
| CLogS | -3.042 |
| H Acceptors | 3 |
| TotalSurfaceArea | 265.99 |
| Relative PSA | 0.10192 |
| PolarSurfaceArea | 36.26 |
| Druglikeness | -2.7976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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