| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 18 | Yes |
Popular Name: 1-(2-hydroxy-4-(3-hydroxypropoxy)-3-propylphenyl)ethanone 1-(2-hydroxy-4-(3-hydroxypropoxy…
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CAS Number: 79557-70-3
| 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) | 2.47 | 3.51 | -12.03 | 2 | 4 | 0 | 67 | 252.31 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.58 | -55.98 | 1 | 4 | -1 | 70 | 251.302 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0054398A1; EP0074712A1; EP0163284A2; US4427686; US4546194; US4628115; US4663332; US4672066; US4769383 | IBM Patent Data |
