UCSF

ZINC01680052

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Popular Name: 4-(4-Chloro-3-methyl-phenoxy)-butyric acid 4-(4-Chloro-3-methyl-phenoxy)-bu…

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CAS Numbers: 23609-99-6 , [23609-99-6]

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) 2.84 0.91 -45.6 0 3 -1 49 227.667 5 ↓

Vendor Notes

Note Type Comments Provided By
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% )