UCSF

ZINC02382057

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 No

Popular Name: 3-Fluoro-4-methylcinnamic acid 3-Fluoro-4-methylcinnamic acid

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CAS Numbers: 261951-72-8 , 694511-55-2

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) 2.45 2.12 -49.68 0 2 -1 40 179.17 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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