Mol Weight - 205.04
Smiles - OC(Cc(cc1)cc(Cl)c1Cl)=O
InChI - ZOUPGSMSNQLUNW-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
| Property Name | Property Value |
| Mol Name | 3,4-Dichloro Phenyl Acetic Acid |
| Molweight | 205.04 |
| Monoisotopic Mass | 203.974484 |
| Clogp | 2.3548 |
| Clogs | -3.066 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 141.96 |
| Relative Psa | 0.18414 |
| Polar Surface Area | 37.3 |
| Druglikeness | -1.5689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.50025 |
| Molecular Complexity | 0.64169 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(Cc(cc1)cc(Cl)c1Cl)=O |
| InChIKey | InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI | ZOUPGSMSNQLUNW-UHFFFAOYSA-N |
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1 — 3,4-Dichloro Phenyl Acetic Acid | 2 — 3,4-Dichloro Phenyl Acetic Acid