UCSF

ZINC01392579

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

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

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CAS Number: 400074-56-8

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) 3.86 6.44 -7.18 0 4 0 48 297.232 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 69 - 71 KeyOrganics

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