UCSF

ZINC34446974

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 Yes

Popular Name: 1-(3-Isopropyl-4-methoxyphenyl)ethanone 1-(3-Isopropyl-4-methoxyphenyl)e…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1634-64-6 , [1634-64-6]

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) 2.86 6.23 -7.7 0 2 0 26 192.258 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0191496A2; US4680054; US5783591; US5998453 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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