4-(nitrosomethylidene)-1-[2-[4-(nitrosomethylidene)pyridin-1-yl]ethyl]pyridine
Formula:C14H14N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-(nitrosomethylidene)-1-[2-[4-(nitrosomethylidene)pyridin-1-yl]ethyl]pyridine is a drug-like molecule.
| MolName | 4-(nitrosomethylidene)-1-[2-[4-(nitrosomethylidene)pyridin-1-yl]ethyl]pyridine |
| MolecularFormula | C14H14N4O2 |
| Smiles | O=NC=C1C=CN(CCN(C=C2)C=CC2=CN=O)C=C1 |
| InChI | InChI=1S/C14H14N4O2/c19-15-11-13-1-5-17(6-2-13)9-10-18-7-3-14(4-8-18)12-16-20/h1-8,11-12H,9-10H2 |
| InChIK | UPGGFZJAGKALOJ-UHFFFAOYSA-N |
| TotalMolweight | 270.291 |
| Molweight | 270.291 |
| MonoisotopicMass | 270.111676 |
| CLogP | -1.2688 |
| CLogS | -1.998 |
| H Acceptors | 6 |
| TotalSurfaceArea | 225.64 |
| Relative PSA | 0.24907 |
| PolarSurfaceArea | 65.34 |
| Druglikeness | 1.3331 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| BasicNitrogens | 2 |
| StereoCon |
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