| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 12 | Yes |
Popular Name: 9-BROMO-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPINE 9-BROMO-2,3,4,5-TETRAHYDRO-1,5-B…
Find On: PubMed — Wikipedia — Google
CAS Number: 1267996-76-8
| 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) | 2.70 | 3.94 | -4.33 | 1 | 2 | 0 | 21 | 228.089 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 4.36 | -38.96 | 2 | 2 | 1 | 26 | 229.097 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
