UCSF

ZINC02089062

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 14 Yes

Popular Name: 1-(4-Propoxyphenyl)propan-1-one 1-(4-Propoxyphenyl)propan-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5736-87-8 , N/A , [5736-87-8]

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) 3.27 1.84 -7.06 0 2 0 26 192.258 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US6124341; WO1998057933A1 IBM Patent Data

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Rings

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