UCSF

ZINC05353637

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 12 Yes

Popular Name: 3,4-Dihydrobenzo[b]oxepin-5(2H)-one 3,4-Dihydrobenzo[b]oxepin-5(2H)-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6786-30-7 , [6786-30-7]

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) 1.87 4.81 -7.83 0 2 0 26 162.188 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1998033382A1 IBM Patent Data

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