(NE)-4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Formula:C12H5NO3Cl4S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(NE)-4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide |
| MolecularFormula | C12H5NO3Cl4S |
| Smiles | O=C(C(Cl)=C/C1=N\S(c(cc2)ccc2Cl)(=O)=O)C(Cl)=C1Cl |
| InChI | InChI=1S/C12H5Cl4NO3S/c13-6-1-3-7(4-2-6)21(19,20)17-9-5-8(14)12(18)11(16)10(9)15/h1-5H |
| InChIK | JIXMIXHCFSEFHF-UHFFFAOYSA-N |
| TotalMolweight | 385.054 |
| Molweight | 385.054 |
| MonoisotopicMass | 382.874422 |
| CLogP | 3.1509 |
| CLogS | -4.899 |
| H Acceptors | 4 |
| TotalSurfaceArea | 238.37 |
| Relative PSA | 0.22289 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 1.4992 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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