UCSF

ZINC03884471

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 No

Popular Name: methyl 3-nitro-4-piperazinobenzenecarboxylate methyl 3-nitro-4-piperazinobenze…

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CAS Numbers: 168123-39-5 , 192441-86-4 , [192441-86-4]

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) 1.39 0.21 -57.98 2 7 1 91 266.277 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 73 - 75 KeyOrganics
MP 73-75° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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