UCSF

ZINC00167574

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 21 Yes

Popular Name: 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid 1,3-dimethyl-5-[3-(trifluorometh…

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CAS Number: 446276-23-9

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) 2.86 3.06 -52.34 0 5 -1 67 299.228 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 200 - 203 KeyOrganics
MP 200-203° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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