UCSF

ZINC08051451

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 12 Yes

Popular Name: 2-chloro-N-ethylnicotinamide 2-chloro-N-ethylnicotinamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52943-22-3 , [52943-22-3]

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) 1.24 2.29 -12.3 1 3 0 42 184.626 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 47 - 49 Enamine Building Blocks
MP 47...49 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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