UCSF

ZINC00085463

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

Popular Name: 1-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanone 1-(4-methoxyphenyl)-2-[(4-methyl…

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CAS Numbers: 86516-51-0 , [86516-51-0]

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) 2.46 -1.83 -18.56 0 4 0 60 304.367 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 131 KeyOrganics
MP 130-131° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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