| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 17 | No |
Popular Name: 4- benzoylchloride 4- benzoylchloride
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CAS Numbers: 106261-64-7 , 148077-69-4
4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride
4-(4-Methylpiperazin-1-ylmethyl)benzoyl chloride
4-(4-Methylpiperazin-1-ylmethyl)benzoylchloride
4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride
| 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) | 2.09 | 6 | -39.93 | 1 | 3 | 1 | 25 | 253.753 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 5.93 | -44.32 | 1 | 3 | 1 | 25 | 253.753 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 3.53 | -4.33 | 0 | 3 | 0 | 24 | 252.745 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.