UCSF

ZINC20470228

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 Yes

Popular Name: [3-fluoro-4-(2-fluorophenoxy)phenyl]methanamine [3-fluoro-4-(2-fluorophenoxy)phe…

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CAS Number: 1038721-54-8

Other Names:

MFCD11191877

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) 3.08 5.53 -55.89 3 2 1 37 236.241 3 ↓
Hi High (pH 8-9.5) 3.08 5.14 -9.66 2 2 0 35 235.233 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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