| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 10 | Yes |
Popular Name: 1-(prop-2-yn-1-yl)azepane 1-(prop-2-yn-1-yl)azepane
Find On: PubMed — Wikipedia — Google
CAS Number: 53678-66-3
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) | 1.92 | 6.44 | -31.5 | 1 | 1 | 1 | 4 | 138.234 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 4.49 | -1.93 | 0 | 1 | 0 | 3 | 137.226 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
