UCSF

ZINC04012247

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 No

Popular Name: N-(4-Chloro-2-nitrophenyl)-3-oxobutanamide N-(4-Chloro-2-nitrophenyl)-3-oxo…

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CAS Numbers: 34797-69-8 , [156499-65-9]

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) 1.50 1.73 -12.18 1 6 0 91 256.645 4 ↓

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