UCSF

ZINC04342704

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 18 Yes

Popular Name: 1-{4-[(4-Chlorobenzyl)oxy]phenyl}ethanone 1-{4-[(4-Chlorobenzyl)oxy]phenyl…

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CAS Numbers: , 61035-74-3

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) 4.17 1.74 -8.87 0 2 0 26 260.72 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0027957A1; US4348403; US5063197 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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