UCSF

ZINC02526123

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: (3-Methyl-4-nitrophenoxy)acetic acid (3-Methyl-4-nitrophenoxy)acetic …

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CAS Numbers: 85444-81-1 , [85444-81-1]

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) 1.58 5.72 -43.04 0 6 -1 95 210.165 4 ↓

Vendor Notes

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

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