| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2008 | 22 | No |
Popular Name: MFCD08692416 MFCD08692416
Find On: PubMed — Wikipedia — Google
CAS Number: 1219221-03-0
1-[2-(Methylsulfonyl)-4-nitrophenyl]piperidine-2-carboxylic acid
1-[2-(methylsulfonyl)-4-nitrophenyl]piperidine-2-carboxylicacid
| 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) | -0.08 | 4.52 | -40.9 | 0 | 8 | -1 | 123 | 327.338 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.