UCSF

ZINC01002201

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 15 Yes

Popular Name: 2-Bromo-4,5-diethoxybenzonitrile 2-Bromo-4,5-diethoxybenzonitrile

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CAS Numbers: 445005-64-1 , 445005-64-7 , 445007-64-7 , [445005-64-1]

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) 2.83 2.14 -5.81 0 3 0 42 270.126 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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