(E)-oxido-(5-phenylpyrimidin-2-yl)-(5-phenylpyrimidin-2-yl)iminoazanium
Formula:C20H14N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-oxido-(5-phenylpyrimidin-2-yl)-(5-phenylpyrimidin-2-yl)iminoazanium is a drug-like molecule.
| MolName | (E)-oxido-(5-phenylpyrimidin-2-yl)-(5-phenylpyrimidin-2-yl)iminoazanium |
| MolecularFormula | C20H14N6O |
| Smiles | [O-]/[N+](/c(nc1)ncc1-c1ccccc1)=N/c(nc1)ncc1-c1ccccc1 |
| InChI | InChI=1S/C20H14N6O/c27-26(20-23-13-18(14-24-20)16-9-5-2-6-10-16)25-19-21-11-17(12-22-19)15-7-3-1-4-8-15/h1-14H |
| InChIK | CPYUHZWAXRNZNN-UHFFFAOYSA-N |
| TotalMolweight | 354.372 |
| Molweight | 354.372 |
| MonoisotopicMass | 354.122909 |
| CLogP | 4.1014 |
| CLogS | -6.763 |
| H Acceptors | 7 |
| TotalSurfaceArea | 276.47 |
| Relative PSA | 0.26321 |
| PolarSurfaceArea | 92.67 |
| Druglikeness | -4.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azoxy |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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