(2E)-2-(nitrosomethylidene)-1-[6-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]hexyl]pyridine
Formula:C18H22N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-(nitrosomethylidene)-1-[6-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]hexyl]pyridine is a drug-like molecule.
| MolName | (2E)-2-(nitrosomethylidene)-1-[6-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]hexyl]pyridine |
| MolecularFormula | C18H22N4O2 |
| Smiles | O=N/C=C1/N(CCCCCCN(C=CC=C2)/C2=C/N=O)C=CC=C1 |
| InChI | InChI=1S/C18H22N4O2/c23-19-15-17-9-3-7-13-21(17)11-5-1-2-6-12-22-14-8-4-10-18(22)16-20-24/h3-4,7-10,13-16H,1-2,5-6,11-12H2 |
| InChIK | AZBNAGGNLZHEDV-UHFFFAOYSA-N |
| TotalMolweight | 326.399 |
| Molweight | 326.399 |
| MonoisotopicMass | 326.174276 |
| CLogP | 1.0066 |
| CLogS | -3.342 |
| H Acceptors | 6 |
| TotalSurfaceArea | 280.68 |
| Relative PSA | 0.20023 |
| PolarSurfaceArea | 65.34 |
| Druglikeness | -3.6145 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 6 |
| Symmetricatoms | 12 |
| StereoCon |
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