UCSF

ZINC00064961

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 2-cyano-N-(3-methylphenyl)acetamide 2-cyano-N-(3-methylphenyl)acetamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54153-19-4 , [54153-19-4]

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) 1.00 4.55 -17.29 1 3 0 53 174.203 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 97 Enamine Building Blocks
MP 93...97 Enamine Building Blocks
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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