(1E)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
Formula:C18H12N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(1E)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (1E)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide |
| MolecularFormula | C18H12N4 |
| Smiles | N#C/C(/c1cccc2ccccc12)=N/N=N/c1ccccc1 |
| InChI | InChI=1S/C18H12N4/c19-13-18(21-22-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H |
| InChIK | AFLOWOUTRIWXOY-UHFFFAOYSA-N |
| TotalMolweight | 284.321 |
| Molweight | 284.321 |
| MonoisotopicMass | 284.106196 |
| CLogP | 5.7202 |
| CLogS | -6.265 |
| H Acceptors | 4 |
| TotalSurfaceArea | 235.32 |
| Relative PSA | 0.20436 |
| PolarSurfaceArea | 60.87 |
| Druglikeness | -7.9823 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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