UCSF

ZINC03885163

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 No

Popular Name: N-(4-nitrophenyl)-3-oxobutanamide N-(4-nitrophenyl)-3-oxobutanamide

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CAS Numbers: 4835-39-6 , [4835-39-6]

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) 0.89 6.14 -20.33 1 6 0 92 222.2 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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