UCSF

ZINC08698320

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 14 Yes

Popular Name: (S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine (S)-1-(4-(Trifluoromethoxy)pheny…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1209050-26-9 , 123195-23-3 , 1391540-47-8 , 951247-75-9 , [123195-23-3] , [951247-75-9]

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) 0.77 3.05 -46.99 3 2 1 37 206.187 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0543402A1 IBM Patent Data

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