UCSF

ZINC37382598

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 Yes

Popular Name: 1-(3-Bromophenyl)cyclobutane-1-carbonitrile 1-(3-Bromophenyl)cyclobutane-1-c…

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CAS Numbers: 29786-38-7 , [29786-38-7]

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) 3.22 7.85 -5.44 0 1 0 24 236.112 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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Rings

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