| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 4-[(4-bromo-3-methylanilino)methyl]benzenecarbonitrile 4-[(4-bromo-3-methylanilino)meth…
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CAS Number: 331461-91-7
| 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) | 4.13 | 0.73 | -6.84 | 1 | 2 | 0 | 35 | 301.187 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 123 - 124 | KeyOrganics |
