Mol Weight - 206.119
Smiles - COc(c(F)c(cc1F)C(O)=O)c1F
| Property Name | Property Value |
| Mol Name | 2,4,5 Trifluoro 3-Methoxy Benzoic Acid |
| Molweight | 206.119 |
| Monoisotopic Mass | 206.019079 |
| Clogp | 1.3771 |
| Clogs | -2.589 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 138.67 |
| Relative Psa | 0.26062 |
| Polar Surface Area | 46.53 |
| Druglikeness | -2.937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.38268 |
| Molecular Complexity | 0.74343 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | COc(c(F)c(cc1F)C(O)=O)c1F |
| InChIKey | InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13) |
| InChI | YVJHZWWMKFQKDC-UHFFFAOYSA-N |
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1 — 2,4,5 Trifluoro 3-Methoxy Benzoic Acid | 2 — 2,4,5 Trifluoro 3-Methoxy Benzoic Acid