UCSF

ZINC34338436

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 Yes

Popular Name: 8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one 8-fluoro-2,3,4,5-tetrahydro-1-be…

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CAS Number: 127557-04-4

Other Names:

MFCD19285320

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) 2.01 4.9 -6.92 0 2 0 26 180.178 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 37 - 39 Enamine Building Blocks
MP 37...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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