UCSF

ZINC05951675

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 14 Yes

Popular Name: 5-bromo-2-butoxybenzonitrile 5-bromo-2-butoxybenzonitrile

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CAS Numbers: 515845-97-3 , [515845-97-3]

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 2.09 -6.42 0 2 0 33 254.127 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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