Chemical Name - Thimerosal
Mol Weight - 381.824
Smiles - CC[Hg]Sc(cccc1)c1C([O-])=O.[Na+]
Mol Weight - 381.824
Smiles - CC[Hg]Sc(cccc1)c1C([O-])=O.[Na+]
| Property Value | |
| Mol Name | Thimerosal |
| Molweight | 381.824 |
| Monoisotopic Mass | 383.002942 |
| Clogp | 0.0195 |
| Clogs | -4.531 |
| H Acceptors | 2 |
| Total Surface Area | 142.05 |
| Relative Psa | 0.31545 |
| Polar Surface Area | 65.43 |
| Druglikeness | -1.2999 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.57206 |
| Molecular Complexity | 0.67089 |
| Fragments | 2 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Metal Atoms | 1 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Acidic Oxygens | 1 |
| Smiles | CC[Hg]Sc(cccc1)c1C([O-])=O.[Na+] |
| InChIKey | InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2 |
| InChI | RTKIYNMVFMVABJ-UHFFFAOYSA-L |
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