UCSF

ZINC00107742

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 5-methyl-3-phenyl-1,2,4-oxadiazole 5-methyl-3-phenyl-1,2,4-oxadiazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1198-98-7 , [1198-98-7]

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) 2.03 0.12 -7.85 0 3 0 39 160.176 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
PUBCHEM_PATENT_ID EP0640081A1; EP0640081B1; EP0972773A1 IBM Patent Data

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