4-[(E)-2-(3-nitrosophenyl)ethenyl]pyridine
Formula:C13H10N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-(3-nitrosophenyl)ethenyl]pyridine is a drug-like molecule.
| MolName | 4-[(E)-2-(3-nitrosophenyl)ethenyl]pyridine |
| MolecularFormula | C13H10N2O |
| Smiles | O=Nc1cc(/C=C/c2ccncc2)ccc1 |
| InChI | InChI=1S/C13H10N2O/c16-15-13-3-1-2-12(10-13)5-4-11-6-8-14-9-7-11/h1-10H |
| InChIK | DXIFTESPVHVEKW-UHFFFAOYSA-N |
| TotalMolweight | 210.235 |
| Molweight | 210.235 |
| MonoisotopicMass | 210.079313 |
| CLogP | 2.6355 |
| CLogS | -3.468 |
| H Acceptors | 3 |
| TotalSurfaceArea | 176.08 |
| Relative PSA | 0.20173 |
| PolarSurfaceArea | 42.32 |
| Druglikeness | -2.0701 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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