UCSF

ZINC01964983

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 18 No

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

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CAS Numbers: , 449177-08-6

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) 2.01 1.5 -10.7 1 5 0 79 286.74 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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Analogs ( Draw Identity 99% 90% 80% 70% )