| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2008 | 12 | No |
Popular Name: Benzaldehyde, 3-bromo-5-chloro-2-hydroxy-, oxime Benzaldehyde, 3-bromo-5-chloro-2…
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CAS Number: 98556-06-0
| 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) | 3.48 | 1.01 | -5.13 | 2 | 3 | 0 | 53 | 250.479 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 3.72 | -34.92 | 1 | 3 | -1 | 52 | 249.471 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 1.44 | -31.84 | 1 | 3 | -1 | 56 | 249.471 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 1.77 | -37.48 | 1 | 3 | -1 | 56 | 249.471 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.