UCSF

ZINC03884277

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: methyl 5-nitro-2-piperazinobenzenecarboxylate methyl 5-nitro-2-piperazinobenze…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 886360-73-2 , [886360-73-2]

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) 1.57 0.16 -51.1 2 7 1 91 266.277 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.130000000000000e+002 - 1.150000000000000e+002 KeyOrganics
melting_point 113 - 115 KeyOrganics
MP 113-115° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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