In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 9 | Yes |
Popular Name: 3-[(Z)-prop-1-enyl]pyridine 3-[(Z)-prop-1-enyl]pyridine
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) | 1.62 | 4.38 | -4.05 | 0 | 1 | 0 | 13 | 119.167 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.62 | 4.85 | -29.53 | 1 | 1 | 1 | 14 | 120.175 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4211867; US5780506; US5922732; US5968947; US6066756; WO2000066584A1 | IBM Patent Data |