| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 20 | No |
Popular Name: 3-Methoxy-4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-benzaldehyde 3-Methoxy-4-[2-(4-methyl-piperaz…
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CAS Number: 99556-74-8
3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzaldehyde
| 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) | 1.30 | 5.41 | -41.05 | 1 | 5 | 1 | 43 | 279.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 5.33 | -39.64 | 1 | 5 | 1 | 43 | 279.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 2.95 | -9.97 | 0 | 5 | 0 | 42 | 278.352 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.