UCSF

ZINC03884309

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 No

Popular Name: 5-Nitro-2-(pyrrolidin-1-yl)benzoic acid 5-Nitro-2-(pyrrolidin-1-yl)benzo…

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CAS Numbers: 19555-48-7 , [19555-48-7]

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) 2.42 0.42 -53.5 0 6 -1 89 235.219 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 230 - 233 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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