| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 16 | Yes |
Popular Name: 2-(4-phenylcyclohexyl)acetic acid 2-(4-phenylcyclohexyl)acetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108062-27-7 , [52092-29-2]
| 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) | 3.39 | 8.57 | -47.07 | 0 | 2 | -1 | 40 | 217.288 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 7.45 | -7.58 | 1 | 2 | 0 | 37 | 218.296 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 83 - 85 | Enamine Building Blocks |
| MP | 83...85 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0272580A2; EP0272580B1; US4431564 | IBM Patent Data |
