In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 17 | Yes |
Popular Name: methyl 3-amino-2-(2H-1,3-benzodioxol-5-ylmethyl)propanoate hydrochloride methyl 3-amino-2-(2H-1,3-benzodi…
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CAS Numbers: 1094236-12-0 , 1208967-17-2
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) | 1.04 | 3.35 | -59.05 | 3 | 5 | 1 | 72 | 238.263 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 154 - 156 | Enamine Building Blocks |
MP | 154...156 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |