2,6-dichloro-N'-(2,4,5-trichlorophenyl)sulfonylpyridine-4-carboximidamide
Formula:C12H6N3O2Cl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N'-(2,4,5-trichlorophenyl)sulfonylpyridine-4-carboximidamide is a drug-like molecule.
| MolName | 2,6-dichloro-N'-(2,4,5-trichlorophenyl)sulfonylpyridine-4-carboximidamide |
| MolecularFormula | C12H6N3O2Cl5S |
| Smiles | N/C(/c1cc(Cl)nc(Cl)c1)=N\S(c(cc(c(Cl)c1)Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C12H6Cl5N3O2S/c13-6-3-8(15)9(4-7(6)14)23(21,22)20-12(18)5-1-10(16)19-11(17)2-5/h1-4H,(H2,18,20) |
| InChIK | DJQJIXFXOFZLGS-UHFFFAOYSA-N |
| TotalMolweight | 433.53 |
| Molweight | 433.53 |
| MonoisotopicMass | 430.862332 |
| CLogP | 4.1734 |
| CLogS | -5.208 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.95 |
| Relative PSA | 0.24663 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | -1.4258 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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