UCSF

ZINC01383687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 No

Popular Name: 1-(3-chlorobenzyl)-2-(2-ethoxy-2-oxoethyl)pyridinium bromide 1-(3-chlorobenzyl)-2-(2-ethoxy-2…

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CAS Number: 477711-07-2

Other Names:

MFCD02186009

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) -0.60 2.93 -31.24 0 3 1 30 290.77 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.