| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 18 | Yes |
Popular Name: 2-[(benzylamino)methyl]-4,6-dibromobenzenol 2-[(benzylamino)methyl]-4,6-dibr…
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CAS Number: 478040-88-9
| 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) | 4.15 | 7.54 | -30.32 | 2 | 2 | 0 | 40 | 371.072 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 6.06 | -36.69 | 1 | 2 | -1 | 35 | 370.064 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 193 - 195 | KeyOrganics |
