UCSF

ZINC15443359

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 16 No

Popular Name: 1-(3-methyl-4-nitrophenyl)piperazine 1-(3-methyl-4-nitrophenyl)pipera…

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CAS Numbers: 192441-84-2 , [192441-84-2]

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) 1.67 4.65 -52.8 2 5 1 66 222.268 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 104 - 106 KeyOrganics
Warnings IRRITANT Matrix Scientific

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