In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 15 | No |
Popular Name: 2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal 2-Ethyl-4-(2,2,3-trimethyl-3-cyc…
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CAS Number: [65114-02-5]
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) | 4.47 | 8.75 | -5.72 | 0 | 1 | 0 | 17 | 206.329 | 4 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0829463A2; EP0829463A3; US5994291; US6084138 | IBM Patent Data |