| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 10 | No |
Popular Name: 3-ethyl-4-nitro-1H-pyrazole 3-ethyl-4-nitro-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Number: 70951-91-6
| 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) | 1.00 | 2.94 | -7.87 | 1 | 5 | 0 | 75 | 141.13 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.76 | -30.04 | 0 | 5 | -1 | 73 | 140.122 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 2.88 | -6.91 | 1 | 5 | 0 | 75 | 141.13 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4921963 | IBM Patent Data |
