Chemical Name - p-Toluenesulfonyl Chloride
Mol Weight - 190.65
Smiles - Cc(cc1)ccc1S(Cl)(=O)=O
Mol Weight - 190.65
Smiles - Cc(cc1)ccc1S(Cl)(=O)=O
| Property Value | |
| Mol Name | p-Toluenesulfonyl Chloride |
| Molweight | 190.65 |
| Monoisotopic Mass | 189.985527 |
| Clogp | 0.9544 |
| Clogs | -3.704 |
| H Acceptors | 2 |
| Total Surface Area | 129.52 |
| Relative Psa | 0.22066 |
| Polar Surface Area | 42.52 |
| Druglikeness | -25.534 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.47198 |
| Molecular Complexity | 0.6271 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 3 |
| Smiles | Cc(cc1)ccc1S(Cl)(=O)=O |
| InChIKey | InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3 |
| InChI | YYROPELSRYBVMQ-UHFFFAOYSA-N |
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