UCSF

ZINC06694356

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 16 Yes

Popular Name: 3-(Trifluoromethyl)-5-p-tolyl-1H-pyrazole 3-(Trifluoromethyl)-5-p-tolyl-1H…

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CAS Numbers: 219986-64-8 , 26974-15-2

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) 3.58 6.15 -4.41 1 2 0 29 226.201 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0931065A2 IBM Patent Data

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