UCSF

ZINC03704512

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 Yes

Popular Name: 3-(4-ethylphenyl)-5-isoxazolamine 3-(4-ethylphenyl)-5-isoxazolamine

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CAS Numbers: 1020955-20-7 , [1020955-20-7]

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) 2.62 3.87 -9.33 2 3 0 52 188.23 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 109 - 111 KeyOrganics
MP 109-111° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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