UCSF

ZINC05863544

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 17 Yes

Popular Name: 4'-Ethoxy-[1,1'-biphenyl]-4-carbonitrile 4'-Ethoxy-[1,1'-biphenyl]-4-carb…

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CAS Numbers: 58743-78-5 , [58743-78-5]

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) 3.92 3.15 -7.11 0 2 0 33 223.275 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 98-100? Alfa-Aesar
Melting_Point 98-100° Alfa-Aesar

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Analogs ( Draw Identity 99% 90% 80% 70% )