UCSF

ZINC00043859

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Substance Information

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

Popular Name: N-(3-chlorophenyl)-2-cyanoacetamide N-(3-chlorophenyl)-2-cyanoacetamide

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CAS Numbers: 17722-12-2 , [17722-12-2]

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) 1.23 4.39 -16.34 1 3 0 53 194.621 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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