UCSF

ZINC21951846

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 No

Popular Name: 1-(3-Nitro-4-piperazin-1-ylphenyl)ethanone dihydrochloride 1-(3-Nitro-4-piperazin-1-ylpheny…

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CAS Numbers: , 1332528-68-3

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) 1.12 5.71 -63.31 2 6 1 83 250.278 3 ↓
Hi High (pH 8-9.5) 1.12 4.3 -14.25 1 6 0 78 249.27 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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