| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2004 | 22 | No |
Popular Name: 4-bromo-2-[(4-fluoro-3-nitroanilino)methyl]-6-methoxybenzenol 4-bromo-2-[(4-fluoro-3-nitroanil…
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CAS Number: 329059-05-4
| 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) | 3.55 | 5.6 | -12.15 | 2 | 6 | 0 | 87 | 371.162 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 6.52 | -38.79 | 1 | 6 | -1 | 90 | 370.154 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 156 - 158 | KeyOrganics |
