4-[nitroso(phenyl)methylidene]-1-[3-[4-[nitroso(phenyl)methylidene]pyridin-1-yl]propyl]pyridine
Formula:C27H24N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[nitroso(phenyl)methylidene]-1-[3-[4-[nitroso(phenyl)methylidene]pyridin-1-yl]propyl]pyridine is a drug-like molecule.
| MolName | 4-[nitroso(phenyl)methylidene]-1-[3-[4-[nitroso(phenyl)methylidene]pyridin-1-yl]propyl]pyridine |
| MolecularFormula | C27H24N4O2 |
| Smiles | O=NC(c1ccccc1)=C1C=CN(CCCN(C=C2)C=CC2=C(c2ccccc2)N=O)C=C1 |
| InChI | InChI=1S/C27H24N4O2/c32-28-26(22-8-3-1-4-9-22)24-12-18-30(19-13-24)16-7-17-31-20-14-25(15-21-31)27(29-33)23-10-5-2-6-11-23/h1-6,8-15,18-21H,7,16-17H2 |
| InChIK | OGMRVWLJHBLPGS-UHFFFAOYSA-N |
| TotalMolweight | 436.514 |
| Molweight | 436.514 |
| MonoisotopicMass | 436.189926 |
| CLogP | 2.7588 |
| CLogS | -4.44 |
| H Acceptors | 6 |
| TotalSurfaceArea | 355.34 |
| Relative PSA | 0.15816 |
| PolarSurfaceArea | 65.34 |
| Druglikeness | 1.8809 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 20 |
| BasicNitrogens | 2 |
| StereoCon |
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