| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 21 | Yes |
Popular Name: 2-[2-(3,4-dichlorophenoxy)-5-fluoro-phenyl]-N-methyl-propan-2-amine 2-[2-(3,4-dichlorophenoxy)-5-flu…
| 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) | 5.63 | 9.64 | -40.46 | 2 | 2 | 1 | 26 | 329.222 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.63 | 8.49 | -3.03 | 1 | 2 | 0 | 21 | 328.214 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000050380A1 | IBM Patent Data |
