(2E)-2-(nitrosomethylidene)-1-[4-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]butyl]pyridine
Formula:C16H18N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-(nitrosomethylidene)-1-[4-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]butyl]pyridine is a drug-like molecule.
| MolName | (2E)-2-(nitrosomethylidene)-1-[4-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]butyl]pyridine |
| MolecularFormula | C16H18N4O2 |
| Smiles | O=N/C=C1/N(CCCCN(C=CC=C2)/C2=C/N=O)C=CC=C1 |
| InChI | InChI=1S/C16H18N4O2/c21-17-13-15-7-1-3-9-19(15)11-5-6-12-20-10-4-2-8-16(20)14-18-22/h1-4,7-10,13-14H,5-6,11-12H2 |
| InChIK | XBWPUBVQNBIHRE-UHFFFAOYSA-N |
| TotalMolweight | 298.345 |
| Molweight | 298.345 |
| MonoisotopicMass | 298.142976 |
| CLogP | 0.0978 |
| CLogS | -2.802 |
| H Acceptors | 6 |
| TotalSurfaceArea | 253.16 |
| Relative PSA | 0.22199 |
| PolarSurfaceArea | 65.34 |
| Druglikeness | 0.59551 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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