| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 16 | No |
Popular Name: 4-Chlorophthalic acid 4-Chlorophthalic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 84689-20-3 , 89-20-3
| 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) | 1.73 | 5.57 | -30.61 | 5 | 5 | 1 | 100 | 257.104 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 5.61 | -8.1 | 4 | 5 | 0 | 98 | 256.096 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 5.59 | -10.54 | 4 | 5 | 0 | 101 | 256.096 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.