UCSF

ZINC21948246

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

Popular Name: 5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxylic acid 5-methyl-1-phenyl-1H-1,2,4-triaz…

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CAS Numbers: 1016-57-5 , [1016-57-5]

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) 0.50 5.64 -61.97 0 5 -1 71 202.193 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 172 - 174 Enamine Building Blocks
MP 172...174 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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