UCSF

ZINC03880917

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 18 No

Popular Name: 5-nitro-2-piperazinobenzenecarboxylic acid 5-nitro-2-piperazinobenzenecarbo…

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CAS Numbers: 168123-39-5 , 886360-73-2 , [168123-39-5]

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) 1.31 -1.4 -76.73 2 7 0 105 251.242 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.950000000000000e+002 KeyOrganics KeyOrganics
MP 295°(dec) Matrix Scientific
MP 295°(dec.) Oakwood Chemical
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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