UCSF

ZINC05770890

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Substance Information

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

Popular Name: 7-Chloro-3,4-dihydro-2H-benzo[b]oxepin-5-one 7-Chloro-3,4-dihydro-2H-benzo[b]…

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CAS Numbers: 55579-90-3 , [55579-90-3]

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) 2.53 0.47 -7.19 0 2 0 26 196.633 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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