UCSF

ZINC03848627

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 18 No

Popular Name: 1-(3-Nitrophenylsulfonyl)piperidine 1-(3-Nitrophenylsulfonyl)piperidine

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CAS Numbers: , 91619-31-7 , [91619-31-7]

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) 2.09 5.2 -11.24 0 6 0 83 270.31 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 120 - 121 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

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