| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2010 | 19 | No |
Popular Name: 2-Benzyl-5-nitroisoindoline 2-Benzyl-5-nitroisoindoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 127168-68-7 , [127168-68-7]
| 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) | 2.66 | 7.84 | -6.89 | 0 | 4 | 0 | 49 | 254.289 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 10.37 | -52.3 | 1 | 4 | 1 | 50 | 255.297 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.