N'-(benzenesulfonyl)-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
Formula:C19H10N2O3Cl4S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide |
| MolecularFormula | C19H10N2O3Cl4S |
| Smiles | O=C(C(Cl)=C(C1=N/C(/c2ccccc2)=N\S(c2ccccc2)(=O)=O)Cl)C(Cl)=C1Cl |
| InChI | InChI=1S/C19H10Cl4N2O3S/c20-13-15(22)18(26)16(23)14(21)17(13)24-19(11-7-3-1-4-8-11)25-29(27,28)12-9-5-2-6-10-12/h1-10H |
| InChIK | FNPKRVAXNIXRCJ-UHFFFAOYSA-N |
| TotalMolweight | 488.177 |
| Molweight | 488.177 |
| MonoisotopicMass | 485.916621 |
| CLogP | 4.5911 |
| CLogS | -6.362 |
| H Acceptors | 5 |
| TotalSurfaceArea | 319.31 |
| Relative PSA | 0.20244 |
| PolarSurfaceArea | 84.31 |
| Druglikeness | -6.087 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 9 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off