Mol Weight - 216.211
Smiles - FC(Oc(cc1)cc2c1[nH]c(S)n2)F
| Property Name | Property Value |
| Mol Name | 5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE |
| Molweight | 216.211 |
| Monoisotopic Mass | 216.016889 |
| Clogp | 1.6117 |
| Clogs | -3.324 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 147.25 |
| Relative Psa | 0.39097 |
| Polar Surface Area | 76.71 |
| Druglikeness | -5.6219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.36127 |
| Molecular Complexity | 0.68745 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 1 |
| Smiles | FC(Oc(cc1)cc2c1[nH]c(S)n2)F |
| InChIKey | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14) |
| InChI | HJMVPNAZPFZXCP-UHFFFAOYSA-N |
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1 — 5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE | 2 — 5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZIMIDAZOLE