UCSF

ZINC01599413

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

Popular Name: 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester 3-(4-Chloro-phenyl)-3-oxo-propio…

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CAS Number: 2881-63-2

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) 2.34 2.83 -12.61 0 3 0 43 226.659 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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