UCSF

ZINC04504973

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 15 No

Popular Name: 3-(2-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid 3-(2-Chloro-phenyl)-4,5-dihydro-…

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CAS Numbers: 522615-29-8 , [522615-29-8]

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) 1.80 5.92 -52.11 0 4 -1 62 224.623 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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