| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 15 | No |
Popular Name: 3-tert-butyl-4-nitro-1H-pyrazole-5-carboxylic acid 3-tert-butyl-4-nitro-1H-pyrazole…
Find On: PubMed — Wikipedia — Google
CAS Number: 1169568-35-7
| 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) | 1.96 | 4.75 | -41.75 | 1 | 7 | -1 | 115 | 212.185 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.61 | -111.94 | 0 | 7 | -2 | 113 | 211.177 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999054333A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
