UCSF

ZINC19735901

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

Popular Name: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]homopiperazine hydrochloride 1-[3-Chloro-5-(trifluoromethyl)p…

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CAS Numbers: 1197238-46-2 , 231953-40-5 , 287114-27-6 , [231953-40-5]

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) 2.21 4.96 -42.69 2 3 1 33 280.701 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 128?/1mm Alfa-Aesar
Boiling_Point 128°/1mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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