3-(4,6-dichloropyridazin-3-yl)benzenesulfonyl chloride
Formula:C10H5N2O2Cl3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4,6-dichloropyridazin-3-yl)benzenesulfonyl chloride is a drug-like molecule.
| MolName | 3-(4,6-dichloropyridazin-3-yl)benzenesulfonyl chloride |
| MolecularFormula | C10H5N2O2Cl3S |
| Smiles | O=S(c1cc(-c(c(Cl)c2)nnc2Cl)ccc1)(Cl)=O |
| InChI | InChI=1S/C10H5Cl3N2O2S/c11-8-5-9(12)14-15-10(8)6-2-1-3-7(4-6)18(13,16)17/h1-5H |
| InChIK | UCNXWFOAFDIWGI-UHFFFAOYSA-N |
| TotalMolweight | 323.587 |
| Molweight | 323.587 |
| MonoisotopicMass | 321.913729 |
| CLogP | 1.8403 |
| CLogS | -5.127 |
| H Acceptors | 4 |
| TotalSurfaceArea | 205.38 |
| Relative PSA | 0.24598 |
| PolarSurfaceArea | 68.3 |
| Druglikeness | -19.588 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4,6-dichloropyridazin-3-yl)benzenesulfonyl chloride | 2 - 3-(4,6-dichloropyridazin-3-yl)benzenesulfonyl chloride
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off