UCSF

ZINC00161252

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile 2-Fluoro-6-[4-(methylthio)phenox…

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CAS Numbers: 148901-52-4 , [148901-52-4]

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) 3.95 3.58 -9.38 0 2 0 33 259.305 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 68-71° Matrix Scientific
Warnings Irritant Matrix Scientific

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