| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 2,5-Dichloroterephthalic acid 2,5-Dichloroterephthalic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13799-90-1 , [13799-90-1]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.29 | 0.02 | -91.1 | 0 | 4 | -2 | 80 | 233.006 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.00 | 5.13 | -55.86 | 0 | 5 | -1 | 71 | 166.16 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | APIChem |
| mp | 295 | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.