UCSF

ZINC02040895

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

Popular Name: 2-azabicyclo[2.2.2]octane hydrochloride 2-azabicyclo[2.2.2]octane hydroc…

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CAS Numbers: 280-38-6 , 5845-15-8 , [5845-15-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.26 -1.42 -34.6 2 1 1 16 112.196 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0010242A1; EP0815088A1; EP0815107A1; EP0835253A1; EP0837858A1; EP0880529A1; EP0906315A1; EP0912579A1; EP0934310A1; EP0977758A1; EP1019410A1; US4246262; US4287199; US4345071; US4353913; US4678800; US5134146; US5212185; US5304552; US5385898; US5610159; US IBM Patent Data

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