4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]oxolan-2-yl]pyridine
Formula:C16H16N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]oxolan-2-yl]pyridine is a drug-like molecule.
| MolName | 4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]oxolan-2-yl]pyridine |
| MolecularFormula | C16H16N4O3 |
| Smiles | O=NC=C1C=CN(C(CC2)OC2N(C=C2)C=CC2=CN=O)C=C1 |
| InChI | InChI=1S/C16H16N4O3/c21-17-11-13-3-7-19(8-4-13)15-1-2-16(23-15)20-9-5-14(6-10-20)12-18-22/h3-12,15-16H,1-2H2 |
| InChIK | OOAFJECSQHDPTD-UHFFFAOYSA-N |
| TotalMolweight | 312.328 |
| Molweight | 312.328 |
| MonoisotopicMass | 312.122241 |
| CLogP | -0.5476 |
| CLogS | -2.647 |
| H Acceptors | 7 |
| TotalSurfaceArea | 247.14 |
| Relative PSA | 0.26786 |
| PolarSurfaceArea | 74.57 |
| Druglikeness | -1.2111 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
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