UCSF

ZINC05677930

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 17 No

Popular Name: Methyl 5-[(chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Methyl 5-[(chloroacetyl)amino]-4…

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CAS Numbers: , 519016-58-1

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) 1.64 1.52 -10.98 1 5 0 79 272.713 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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