(NZ)-4-chloro-N-(2,3,5,5,6,6-hexachloro-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide
Formula:C12H4NO3Cl7S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(NZ)-4-chloro-N-(2,3,5,5,6,6-hexachloro-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-chloro-N-(2,3,5,5,6,6-hexachloro-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide |
| MolecularFormula | C12H4NO3Cl7S |
| Smiles | O=C(C(C(/C1=N\S(c(cc2)ccc2Cl)(=O)=O)(Cl)Cl)(Cl)Cl)C(Cl)=C1Cl |
| InChI | InChI=1S/C12H4Cl7NO3S/c13-5-1-3-6(4-2-5)24(22,23)20-9-7(14)8(15)10(21)12(18,19)11(9,16)17/h1-4H |
| InChIK | SEPDBADCADXYCQ-UHFFFAOYSA-N |
| TotalMolweight | 490.405 |
| Molweight | 490.405 |
| MonoisotopicMass | 486.773153 |
| CLogP | 4.7052 |
| CLogS | -6.196 |
| H Acceptors | 4 |
| TotalSurfaceArea | 280.74 |
| Relative PSA | 0.18925 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 1.7431 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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