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[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate structure

CAS No:
731782-96-0
Formula:
C18H19N3O4
Chemical Name:
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate
Synonyms:
MLS000770665;CHEMBL1584361;ZINC3346201;AKOS033631210;SMR000343846;SR-01000048478;SR-01000048478-1;Z18553755;3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]carbonyl}pyridin-1-ium-1-olate;731782-96-0

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[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate Basic Attributes

Molecular Weight：

341.4 g/mol

Exact Mass：

341.13755610 g/mol

Characteristics

PSA：

75.3 Å²

Water Solubility：

44.5 [ug/mL]

Computed Properties

Molecular Weight:341.4
XLogP3:0.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:341.13755610
Monoisotopic Mass:341.13755610
Topological Polar Surface Area:75.3
Heavy Atom Count:25
Complexity:459
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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