UCSF

ZINC00167405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 3-(2-chlorophenyl)-5-isoxazolecarboxylic acid 3-(2-chlorophenyl)-5-isoxazoleca…

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CAS Numbers: 338982-12-0 , [338982-12-0]

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) 2.54 1.59 -47.02 0 4 -1 66 222.607 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 - 159 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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