In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 16 | Yes |
Popular Name: 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid 2-(6-methoxy-1,2,3,4-tetrahydron…
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CAS Number: 68254-80-8
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) | 0.44 | 6.4 | -47.7 | 0 | 3 | -1 | 49 | 219.26 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 84 - 86 | Enamine Building Blocks |
MP | 84...86 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0971878A1; WO1998038156A1 | IBM Patent Data |