2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile
Formula:C16H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile is a drug-like molecule.
| MolName | 2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile |
| MolecularFormula | C16H16N4O |
| Smiles | N#CC(C#N)=N/C=C(/Cc1ccccc1)\N1CCOCC1 |
| InChI | InChI=1S/C16H16N4O/c17-11-15(12-18)19-13-16(20-6-8-21-9-7-20)10-14-4-2-1-3-5-14/h1-5,13H,6-10H2 |
| InChIK | HVOLPFNWGRGRPT-UHFFFAOYSA-N |
| TotalMolweight | 280.33 |
| Molweight | 280.33 |
| MonoisotopicMass | 280.132411 |
| CLogP | 1.0749 |
| CLogS | -2.815 |
| H Acceptors | 5 |
| TotalSurfaceArea | 239.96 |
| Relative PSA | 0.21745 |
| PolarSurfaceArea | 72.41 |
| Druglikeness | -4.4868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,1-dinitrile |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| BasicNitrogens | 2 |
| StereoCon |
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