| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 17 | Yes |
Popular Name: 5-(3-Ethoxyphenyl)cyclohexane-1,3-dione 5-(3-Ethoxyphenyl)cyclohexane-1,…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 903471-05-6
| 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) | 2.55 | 6.51 | -42.99 | 0 | 3 | -1 | 49 | 231.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.68 | -43.31 | 0 | 3 | -1 | 49 | 231.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 6.71 | -12.15 | 0 | 3 | 0 | 43 | 232.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.79 | -10.64 | 1 | 3 | 0 | 47 | 232.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.79 | -10.64 | 1 | 3 | 0 | 47 | 232.279 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.