4-[5-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
Formula:C17H12N3O3Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-[5-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[5-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C17H12N3O3Cl3S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)o1)(=O)=O |
| InChI | InChI=1S/C17H12Cl3N3O3S/c18-11-7-14(19)17(15(20)8-11)23-22-9-12-3-6-16(26-12)10-1-4-13(5-2-10)27(21,24)25/h1-9,23H,(H2,21,24,25) |
| InChIK | LFSBVJDTPMSTJJ-UHFFFAOYSA-N |
| TotalMolweight | 444.725 |
| Molweight | 444.725 |
| MonoisotopicMass | 442.966493 |
| CLogP | 6.3618 |
| CLogS | -6.716 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 302.05 |
| Relative PSA | 0.26794 |
| PolarSurfaceArea | 106.07 |
| Druglikeness | 4.5977 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
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