In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 16 | No |
Popular Name: 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-propionic acid 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexah…
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CAS Number: 78394-45-3
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) | 0.02 | 5.39 | -48.46 | 0 | 5 | -1 | 78 | 222.22 | 3 | ↓ |
Ref Reference (pH 7) | 0.02 | 5.48 | -50.87 | 0 | 5 | -1 | 78 | 222.22 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks |
MP | 91 - 93 | Enamine Building Blocks |
MP | 91...93 | Enamine Building Blocks |
purity | 95 | Enamine Building Blocks |