UCSF

ZINC00082896

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 1-methyl-3-(trifluoromethyl)-1H-…

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CAS Numbers: 338982-15-3 , [338982-15-3]

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) 2.40 5.22 -44.6 0 4 -1 58 249.193 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 255 - 258 KeyOrganics
MP 255-258° Fluorochem
Warnings IRRITANT Matrix Scientific

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