UCSF

ZINC06681873

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 13 Yes

Popular Name: 3-(4-chlorophenoxy)-N-methyl-1-propanamine 3-(4-chlorophenoxy)-N-methyl-1-p…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90945-06-5 , [90945-06-5]

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) 2.73 -0.48 -41.7 2 2 1 25 200.689 5 ↓

Vendor Notes

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

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