In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 18 | Yes |
Popular Name: 2-(4-Ethoxy-phenyl)-2-piperidin-1-yl-ethylamine 2-(4-Ethoxy-phenyl)-2-piperidin-…
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CAS Numbers: 31466-52-1 , [31466-52-1]
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) | 2.07 | 6.42 | -119.9 | 4 | 3 | 2 | 41 | 250.386 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 4.54 | -45.33 | 3 | 3 | 1 | 40 | 249.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 6.71 | -30.23 | 3 | 3 | 1 | 40 | 249.378 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |