UCSF

ZINC02566694

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: (4-Nitrophenyl)(pyrrolidin-1-yl)methanone (4-Nitrophenyl)(pyrrolidin-1-yl)…

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CAS Numbers: , 53578-11-3 , [53578-11-3]

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) 1.27 6.21 -10.3 0 5 0 66 220.228 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0991625A2; US5998424; WO1998057937A2 IBM Patent Data

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