UCSF

ZINC00366799

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 13 Yes

Popular Name: 3-(4-chlorophenoxy)propanoic acid 3-(4-chlorophenoxy)propanoic acid

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CAS Numbers: 3284-79-5 , [3284-79-5]

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) 2.19 0.45 -41.8 0 3 -1 49 199.613 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
MP 133 - 135 Enamine Building Blocks
MP 135-136° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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