UCSF

ZINC03885151

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 22 Yes

Popular Name: ethyl 2-[(cyanoacetyl)amino]-4-phenylthiophene-3-carboxylate ethyl 2-[(cyanoacetyl)amino]-4-p…

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CAS Numbers: , 546090-58-8

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) 2.22 2.17 -18.84 1 5 0 79 314.366 6 ↓

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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