| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 18 | No |
Popular Name: 3-(4-Nitrophenyl)pentanedioic acid 3-(4-Nitrophenyl)pentanedioic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 92289-14-0 , [92289-14-0]
| 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) | -2.22 | 8.23 | -103.02 | 0 | 7 | -2 | 126 | 251.194 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.22 | 6.23 | -48.51 | 1 | 7 | -1 | 123 | 252.202 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.