| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2013 | 17 | No |
Popular Name: Methyl 5-(methylsulfonyl)-2-nitrobenzoate Methyl 5-(methylsulfonyl)-2-nitr…
Find On: PubMed — Wikipedia — Google
CAS Number: 949033-22-1
| 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) | 1.04 | 3.71 | -19.09 | 0 | 7 | 0 | 106 | 259.239 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.