UCSF

ZINC07261098

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2006 17 Yes

Popular Name: 3-Bromo-4-(hexyloxy)benzoic acid 3-Bromo-4-(hexyloxy)benzoic acid

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CAS Numbers: , 158873-84-8 , [158873-84-8]

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) 5.09 0.59 -46.3 0 3 -1 49 300.172 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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