UCSF

ZINC01817943

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 18 No

Popular Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]pyridinium iodide 1-[2-(3-nitrophenyl)-2-oxoethyl]…

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CAS Number: 317377-56-3

Other Names:

MFCD00140575

MFCD00195407

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) -3.39 3.13 -48.94 0 5 1 66 243.242 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 178 KeyOrganics
mp 187 - 188.5 MolMall (formerly Molecular Diversity Preservation International)

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