4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]pentyl]pyridine
Formula:C17H20N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]pentyl]pyridine is a drug-like molecule.
| MolName | 4-(nitrosomethylidene)-1-[5-[4-(nitrosomethylidene)pyridin-1-yl]pentyl]pyridine |
| MolecularFormula | C17H20N4O2 |
| Smiles | O=NC=C1C=CN(CCCCCN(C=C2)C=CC2=CN=O)C=C1 |
| InChI | InChI=1S/C17H20N4O2/c22-18-14-16-4-10-20(11-5-16)8-2-1-3-9-21-12-6-17(7-13-21)15-19-23/h4-7,10-15H,1-3,8-9H2 |
| InChIK | RKIJZSCUKNSLSU-UHFFFAOYSA-N |
| TotalMolweight | 312.372 |
| Molweight | 312.372 |
| MonoisotopicMass | 312.158626 |
| CLogP | 0.0944 |
| CLogS | -2.808 |
| H Acceptors | 6 |
| TotalSurfaceArea | 266.92 |
| Relative PSA | 0.21055 |
| PolarSurfaceArea | 65.34 |
| Druglikeness | -1.6949 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.82609 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| BasicNitrogens | 2 |
| StereoCon |
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