UCSF

ZINC03886314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

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

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CAS Numbers: 42106-50-3 , [42106-50-3]

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) 2.93 9.15 -48.35 0 6 -1 89 249.246 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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