UCSF

ZINC15443740

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 21 No

Popular Name: 1-(4-Ethylsulfonyl-2-nitrophenyl)-3-methylpiperazine hydrochloride 1-(4-Ethylsulfonyl-2-nitrophenyl…

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CAS Numbers: 1172106-55-6 , [1172106-55-6]

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) 1.15 4.4 -57.23 2 7 1 100 314.387 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 222-225° Fluorochem
Warnings IRRITANT Matrix Scientific

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