| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 14 | No |
Popular Name: 2,5-Dimethyl-3-nitrobenzoic acid 2,5-Dimethyl-3-nitrobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27022-97-5 , [27022-97-5]
| 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 | 1.71 | -43.79 | 0 | 5 | -1 | 85 | 194.166 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.7 | -14.5 | 5 | 9 | 0 | 146 | 416.42 | 4 | ↓ |
