UCSF

ZINC05748254

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 13 Yes

Popular Name: 9-methyl-3,4-dihydro-1-benzoxepin-5(2H)-one 9-methyl-3,4-dihydro-1-benzoxepi…

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CAS Numbers: 82710-08-5 , N/A

Other Names:

MFCD01648759

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) 2.27 1.03 -7.84 0 2 0 26 176.215 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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