UCSF

ZINC23670817

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 11 Yes

Popular Name: 2,3,4,5-tetrahydro-1,5-benzoxazepine 2,3,4,5-tetrahydro-1,5-benzoxaze…

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CAS Numbers: 3693-06-9 , 4029-37-2 , 7160-97-6

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) 1.94 3.25 -4.44 1 2 0 21 149.193 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0450097A1; EP0450097B1; US5559230; US5753677; US5985869; WO1991005549A1; WO1994001113A1 IBM Patent Data

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