UCSF

ZINC06350433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 19 No

Popular Name: Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate Ethyl 5-(3-nitrophenyl)isoxazole…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 866040-66-6 , [866040-66-6]

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) 2.72 7.43 -12.09 0 7 0 98 262.221 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 142 - 143 KeyOrganics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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