| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 16 | No |
Popular Name: 2-(5-Methyl-4-nitro-2H-pyrazol-3-ylsulfanyl)-pyridine 2-(5-Methyl-4-nitro-2H-pyrazol-3…
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CAS Number: 358731-01-8
2-(5-Methyl-4-nitro-2H-pyrazol-3-ylsulfanyl)-
2-({4-nitro-3-methyl-1H-pyrazol-5-yl}sulfanyl)pyridine
| 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) | 1.95 | 5.26 | -11.34 | 1 | 6 | 0 | 87 | 236.256 | 3 | ↓ |
| Ref Reference (pH 7) | 1.95 | 5.51 | -8.41 | 1 | 6 | 0 | 87 | 236.256 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.13 | -40.95 | 0 | 6 | -1 | 86 | 235.248 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.