UCSF

ZINC00153370

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}aniline 4-{[5-(trifluoromethyl)-2-pyridi…

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CAS Numbers: 71422-81-6 , Unregistered , [71422-81-6]

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) 2.77 0.2 -5.59 2 3 0 48 254.211 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 44 - 47 KeyOrganics
MP 44-47° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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