In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 16 | No |
Popular Name: 1-[4-(pyridin-1-ium-1-yl)butyl]pyridin-1-ium dibromide 1-[4-(pyridin-1-ium-1-yl)butyl]p…
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CAS Number: 14208-08-3
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) | -5.74 | 10.65 | -77.79 | 0 | 2 | 2 | 8 | 214.312 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0276497B1; US3945822; US3972719; US4049454; US4059446; US4130428; US4130429; US4177071; US4893021 | IBM Patent Data |