In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2011 | 20 | Yes |
Popular Name: N,N-Dimethyl-N'-(3,4,5-trimethoxy-benzyl)-propane-1,3-diamine N,N-Dimethyl-N'-(3,4,5-trimethox…
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CAS Number: 626216-57-7
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) | 1.43 | 5.09 | -41.92 | 2 | 5 | 1 | 44 | 283.392 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 3.96 | -52.35 | 2 | 5 | 1 | 48 | 283.392 | 9 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |