In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 14 | Yes |
Popular Name: 2-(4-Chlorophenyl)-3-methylbutanamide 2-(4-Chlorophenyl)-3-methylbutan…
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CAS Number: 69741-69-1
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) | 2.91 | 4.49 | -7.94 | 2 | 2 | 0 | 43 | 211.692 | 3 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | WO1997016067A1 | IBM Patent Data |