4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine
Formula:C18H18N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine is a drug-like molecule.
| MolName | 4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine |
| MolecularFormula | C18H18N2O2 |
| Smiles | O=N/C(/c1ccccc1)=C(/c1ccccc1)\N1CCOCC1 |
| InChI | InChI=1S/C18H18N2O2/c21-19-17(15-7-3-1-4-8-15)18(16-9-5-2-6-10-16)20-11-13-22-14-12-20/h1-10H,11-14H2 |
| InChIK | XCINXTZVGIOBGZ-UHFFFAOYSA-N |
| TotalMolweight | 294.353 |
| Molweight | 294.353 |
| MonoisotopicMass | 294.136828 |
| CLogP | 2.3756 |
| CLogS | -2.654 |
| H Acceptors | 4 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.16173 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 0.67967 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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