UCSF

ZINC08730196

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 17 Yes

Popular Name: 3-[5-(trifluoromethyl)-2-pyridinyl]aniline 3-[5-(trifluoromethyl)-2-pyridin…

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CAS Numbers: 886361-00-8 , [886361-00-8]

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) 2.54 1.02 -5.69 2 2 0 39 238.212 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 84 - 86 KeyOrganics
MP 84-86° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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