UCSF

ZINC00145739

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2-cyano-N-(2-ethylphenyl)acetamide 2-cyano-N-(2-ethylphenyl)acetamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 87165-08-0 , [87165-08-0]

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) 1.44 5.5 -16.6 1 3 0 53 188.23 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4393217 IBM Patent Data

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