UCSF

ZINC39951975

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 11 Yes

Popular Name: (R)-1-(3-Chloro-2-fluorophenyl)ethanamine hydrochloride (R)-1-(3-Chloro-2-fluorophenyl)e…

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CAS Numbers: 1217449-55-2 , 1253792-97-0 , [1253792-97-0] , [1253792-97-2]

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) 0.55 3.84 -48.22 3 1 1 28 174.626 1 ↓
Hi High (pH 8-9.5) 0.55 3.57 -3.33 2 1 0 26 173.618 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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