UCSF

ZINC66054196

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 11 Yes

Popular Name: 8-Chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine 8-Chloro-2,3-dihydro-[1,4]dioxin…

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CAS Numbers: 156840-59-4 , [156840-59-4]

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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) 1.57 1.09 -7.63 0 3 0 31 171.583 0 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.