UCSF

ZINC07604073

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 14 Yes

Popular Name: 4-(allyloxy)-3-bromobenzoic acid 4-(allyloxy)-3-bromobenzoic acid

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CAS Numbers: , 886643-00-1

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) 3.29 0.6 -46.65 0 3 -1 49 256.075 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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