UCSF

ZINC05792424

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 17 Yes

Popular Name: methyl 2-(hexyloxy)benzoate methyl 2-(hexyloxy)benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 56306-81-1

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) 4.65 3.26 -8.89 0 3 0 35 236.311 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0997463A1; US4543402; US4629798 IBM Patent Data

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