In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 21 | Yes |
Popular Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile 3-[4-(1,3-benzodioxol-5-ylmethyl…
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CAS Numbers: , 546116-57-8
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) | 0.30 | 4.05 | -19.95 | 0 | 6 | 0 | 66 | 287.319 | 3 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.