UCSF

ZINC20078669

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Popular Name: 3-(4-(Trifluoromethyl)phenyl)isoxazol-5-amine 3-(4-(Trifluoromethyl)phenyl)iso…

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CAS Number: 81465-84-1

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) 2.60 3.44 -8.75 2 3 0 52 228.173 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 140 - 142 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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