UCSF

ZINC20286574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 Yes

Popular Name: 3-(Trifluoromethyl)picolinonitrile 3-(Trifluoromethyl)picolinonitrile

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CAS Numbers: 406933-21-9 , [406933-21-9]

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) 1.76 3.82 -9.48 0 2 0 37 172.109 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 120 @ 45 mm Hg KeyOrganics
Purity 95% Fluorochem

Activity (Go SEA)

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