(1Z)-2-hydrazinyl-2-oxo-N-(2,4,6-tribromoanilino)ethanimidoyl cyanide
Formula:C9H6N5OBr3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-2-hydrazinyl-2-oxo-N-(2,4,6-tribromoanilino)ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-hydrazinyl-2-oxo-N-(2,4,6-tribromoanilino)ethanimidoyl cyanide |
| MolecularFormula | C9H6N5OBr3 |
| Smiles | NNC(/C(/C#N)=N\Nc(c(Br)cc(Br)c1)c1Br)=O |
| InChI | InChI=1S/C9H6Br3N5O/c10-4-1-5(11)8(6(12)2-4)17-16-7(3-13)9(18)15-14/h1-2,17H,14H2,(H,15,18) |
| InChIK | WNNKPLDKGUJOPY-UHFFFAOYSA-N |
| TotalMolweight | 439.893 |
| Molweight | 439.893 |
| MonoisotopicMass | 436.812243 |
| CLogP | 2.6096 |
| CLogS | -4.593 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 223.02 |
| Relative PSA | 0.34212 |
| PolarSurfaceArea | 103.3 |
| Druglikeness | -8.4389 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine; polyhalo aromatic ring |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (1Z)-2-hydrazinyl-2-oxo-N-(2,4,6-tribromoanilino)ethanimidoyl cyanide | 2 - (1Z)-2-hydrazinyl-2-oxo-N-(2,4,6-tribromoanilino)ethanimidoyl cyanide
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