| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2005 | 17 | No |
Popular Name: 1-(2-furyl)-3-(2-hydroxyphenyl)propane-1,3-dione 1-(2-furyl)-3-(2-hydroxyphenyl)p…
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CAS Number: 65599-35-1
| 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) | 3.27 | 2.75 | -11.37 | 1 | 4 | 0 | 73 | 229.211 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 6.31 | -141.03 | 0 | 4 | -2 | 76 | 228.203 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 5.3 | -56.21 | 1 | 4 | -1 | 73 | 229.211 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 3.51 | -46.6 | 0 | 4 | 0 | 76 | 228.203 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 6.18 | -137.61 | 0 | 4 | -2 | 76 | 228.203 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 5.18 | -56.82 | 1 | 4 | -1 | 73 | 229.211 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 6.12 | -10.56 | 1 | 4 | 0 | 68 | 230.219 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 6.97 | -57.46 | 0 | 4 | -1 | 70 | 229.211 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
