| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 17 | Yes |
Popular Name: methyl 2-{[(7-chloro-2H-1,3-benzodioxol-5-yl)methyl]amino}acetate hydrochloride methyl 2-{[(7-chloro-2H-1,3-benz…
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CAS Numbers: 1152538-88-9 , 1384427-87-5
| 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) | 1.86 | 4.62 | -54.98 | 2 | 5 | 1 | 61 | 258.681 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 3.27 | -10.45 | 1 | 5 | 0 | 57 | 257.673 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
