| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 13 | Yes |
Popular Name: 8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine 8-fluoro-2,3,4,5-tetrahydro-1-be…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1267814-70-9 , 1432679-00-9
None
| 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) | -0.02 | 3.27 | -51.41 | 3 | 2 | 1 | 37 | 182.218 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.02 | 3.23 | -3.07 | 2 | 2 | 0 | 35 | 181.21 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 254 - 256 | Enamine Building Blocks |
| MP | 254...256 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
