UCSF

ZINC01386552

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 No

Popular Name: N-(5-bromo-6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide N-(5-bromo-6-oxo-5,6-dihydro-4H-…

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CAS Number: 865659-08-1

Other Names:

MFCD03787324

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) 1.86 0.05 -8.5 1 3 0 46 328.109 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 146 KeyOrganics

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Rings

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

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