In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 21 | Yes |
Popular Name: 1-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl}piperazine dihydrochloride 1-{3-[3-(4-methylphenyl)-1,2,4-o…
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CAS Numbers: 1170167-74-4 , 1170356-88-3
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) | 2.27 | 4.38 | -45 | 2 | 5 | 1 | 59 | 287.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 6.76 | -122.76 | 3 | 5 | 2 | 60 | 288.395 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |