N'-anilino-1-nitro-N-oxido-N-oxo-N-phenyliminomethanimidamide
Formula:C13H11N5O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
N'-anilino-1-nitro-N-oxido-N-oxo-N-phenyliminomethanimidamide is a drug-like molecule.
| MolName | N'-anilino-1-nitro-N-oxido-N-oxo-N-phenyliminomethanimidamide |
| MolecularFormula | C13H11N5O2 |
| Smiles | [O-][N+](/C(/N=N/c1ccccc1)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C13H11N5O2/c19-18(20)13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H |
| InChIK | ZURUWJIOBITTCE-UHFFFAOYSA-N |
| TotalMolweight | 269.263 |
| Molweight | 269.263 |
| MonoisotopicMass | 269.091275 |
| CLogP | 4.2815 |
| CLogS | -4.402 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 214.14 |
| Relative PSA | 0.35682 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -8.9302 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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