| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: 2-(4-acetylphenoxy)-6-chlorobenzenecarbonitrile 2-(4-acetylphenoxy)-6-chlorobenz…
Find On: PubMed — Wikipedia — Google
CAS Number: 337920-47-5
| 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) | 3.93 | 3.52 | -11.81 | 0 | 3 | 0 | 50 | 271.703 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 112-114° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.