UCSF

ZINC04056635

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 15 No

Popular Name: 2-cyano-n-(4-nitrophenyl)acetamide 2-cyano-n-(4-nitrophenyl)acetamide

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CAS Numbers: , 22208-39-5 , [22208-39-5]

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) 0.53 4.54 -22.98 1 6 0 99 205.173 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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