UCSF

ZINC04071517

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 17 No

Popular Name: N-Butyl 3-nitrobenzenesulfonamide N-Butyl 3-nitrobenzenesulfonamide

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CAS Numbers: 89840-72-2 , [89840-72-2]

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) 2.38 -3.59 -11.82 1 6 0 91 258.299 6 ↓

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