UCSF

ZINC03260332

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 16 Yes

Popular Name: N-(4-butylphenyl)-2-cyanoacetamide N-(4-butylphenyl)-2-cyanoacetamide

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CAS Numbers: , 54153-20-7

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) 2.44 1.93 -17.13 1 3 0 52 216.284 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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