UCSF

ZINC00121772

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine 2-(4-Cyanophenoxy)-5-(trifluorom…

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CAS Numbers: 175277-01-7 , [175277-01-7]

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) 3.45 3.66 -6.6 0 3 0 45 264.206 3 ↓
Lo Low (pH 4.5-6) 3.45 4.24 -38.22 1 3 1 47 265.214 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 8.800000000000000e+001 - 8.900000000000000e+001 KeyOrganics
MP 83-85° Matrix Scientific
melting_point 88 - 89 KeyOrganics
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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