UCSF

ZINC04943148

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 18 Yes

Popular Name: 1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 1-(4-ethoxyphenyl)-5-methyl-1H-1…

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CAS Numbers: 337980-36-6 , [337980-36-6]

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) 1.59 4.42 -53.34 0 6 -1 80 246.246 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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