UCSF

ZINC01386543

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 No

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

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CAS Number: 865659-01-4

Other Names:

MFCD03787109

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) 1.98 -3.89 -18.72 1 7 0 109 338.366 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 185 KeyOrganics

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Rings

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

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