| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 15 | Yes |
Popular Name: 3-(6-Oxo-1,6-dihydro-3-pyridazinyl)benzonitrile, 97% 3-(6-Oxo-1,6-dihydro-3-pyridazin…
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CAS Number: 52240-08-1
| 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) | 1.47 | 3.97 | -14.33 | 1 | 4 | 0 | 70 | 197.197 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 2.12 | -50.98 | 0 | 4 | -1 | 73 | 196.189 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
