UCSF

ZINC02243043

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 16 Yes

Popular Name: Ethyl 4-(4-chlorophenyl)-4-oxobutyrate Ethyl 4-(4-chlorophenyl)-4-oxobu…

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CAS Numbers: 53503-49-4 , [53503-49-4]

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) 2.61 7.98 -6.33 0 3 0 43 240.686 6 ↓

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