UCSF

ZINC05744354

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 14 Yes

Popular Name: 7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one 7,8-dimethyl-2,3,4,5-tetrahydro-…

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CAS Number: 32557-51-0

Other Names:

MFCD01648763

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) 2.67 1.22 -8 0 2 0 26 190.242 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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