| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | Yes |
Popular Name: 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonitrile 9-chloro-3,4-dihydro-2H-1,5-benz…
Find On: PubMed — Wikipedia — Google
CAS Number: 855991-54-7
| 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) | 2.28 | 1.63 | -5.86 | 0 | 3 | 0 | 42 | 209.632 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 110 - 112 | Enamine Building Blocks |
| MP | 110...112 | Enamine Building Blocks |
| MP | 111 - 112 | Enamine Building Blocks |
| MP | 112 - 112 | Enamine Building Blocks |
| MP | 112 - 114 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
