UCSF

ZINC00393617

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 14 Yes

Popular Name: 2-(2,5-Dichlorophenoxy)propanoic acid 2-(2,5-Dichlorophenoxy)propanoic…

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CAS Numbers: 6965-71-5 , [6965-71-5]

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) 2.89 0.93 -46.17 0 3 -1 49 234.058 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4257801 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.