Mol Weight - 166.219
Smiles - CC(C)(C)c(cc1)cc(O)c1O
| Property Name | Property Value |
| Mol Name | (4-Tert-Butyl Pyrocatechol) |
| Molweight | 166.219 |
| Monoisotopic Mass | 166.09938 |
| Clogp | 2.5501 |
| Clogs | -2.184 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 133.15 |
| Relative Psa | 0.19677 |
| Polar Surface Area | 40.46 |
| Druglikeness | -5.276 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.44738 |
| Molecular Complexity | 0.62294 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)c(cc1)cc(O)c1O |
| InChIKey | InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| InChI | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
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1 — (4-Tert-Butyl Pyrocatechol) | 2 — (4-Tert-Butyl Pyrocatechol)