Mol Weight - 241.457
Smiles - OC(c(cc(c(Cl)c1O)Cl)c1Cl)=O
| Property Name | Property Value |
| Mol Name | 2,4,5 Trichloro 3-Hydroxy Benzoic Acid |
| Molweight | 241.457 |
| Monoisotopic Mass | 239.914776 |
| Clogp | 2.617 |
| Clogs | -3.541 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 149.97 |
| Relative Psa | 0.26165 |
| Polar Surface Area | 57.53 |
| Druglikeness | -1.6821 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.32005 |
| Molecular Complexity | 0.77083 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(c(cc(c(Cl)c1O)Cl)c1Cl)=O |
| InChIKey | InChI=1S/C7H3Cl3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13) |
| InChI | JRBOKCPAHZZTFZ-UHFFFAOYSA-N |
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1 — 2,4,5 Trichloro 3-Hydroxy Benzoic Acid | 2 — 2,4,5 Trichloro 3-Hydroxy Benzoic Acid