| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 15 | No |
Popular Name: Benzaldehyde, 3-acetyl-5-ethyl-2,6-dihydroxy- (9CI) Benzaldehyde, 3-acetyl-5-ethyl-2…
Find On: PubMed — Wikipedia — Google
CAS Number: 412338-84-2
| 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) | 1.89 | 2.97 | -14.41 | 2 | 4 | 0 | 75 | 208.213 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.94 | -121.97 | 0 | 4 | -2 | 80 | 206.197 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 4.1 | -60.14 | 1 | 4 | -1 | 77 | 207.205 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 4.34 | -47.06 | 1 | 4 | -1 | 77 | 207.205 | 3 | ↓ |
