| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2009 | 10 | Yes |
Popular Name: Pyridine, 3-(1-butenyl)-, (E)- (9CI) Pyridine, 3-(1-butenyl)-, (E)- (…
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CAS Number: 142505-11-1
| 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) | 2.13 | 5.47 | -3.92 | 0 | 1 | 0 | 13 | 133.194 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 5.91 | -32.06 | 1 | 1 | 1 | 14 | 134.202 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0891331A1; US5717092; US5935954; WO1997036869A1 | IBM Patent Data |
