UCSF

ZINC36895332

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 Yes

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

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CAS Numbers: 1094411-42-3 , [1094411-42-3]

Other Names:

MFCD11180786

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) 2.14 5.76 -48.72 0 5 -1 71 254.628 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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