| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 19 | No |
Popular Name: 4-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)benzenecarboxylic acid 4-(3-oxo-1,3,4,5,6,7-hexahydro-2…
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CAS Number: 866018-45-3
| 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) | 2.83 | 7.45 | -54.74 | 0 | 5 | -1 | 73 | 257.269 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 6.2 | -104.5 | 0 | 5 | -2 | 81 | 256.261 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 300 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.