| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2012 | 9 | No |
Popular Name: TrisbromoneopentylAlcohol TrisbromoneopentylAlcohol
Find On: PubMed — Wikipedia — Google
CAS Number: 36483-57-5
| 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) | 3.08 | 2.59 | -1.38 | 1 | 1 | 0 | 20 | 324.838 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 3.11 | -29.62 | 0 | 1 | -1 | 23 | 323.83 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4210452; US4221837; US4241145; US4345002 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.