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1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone structure

CAS No:
721410-98-6
Formula:
C13H18N2O2S
Chemical Name:
1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
Synonyms:
MLS001006107;CHEMBL1864887;HMS2740I21;ZINC3224295;AKOS017003731;SMR000349162;SR-01000036713;SR-01000036713-1;Z18546486;2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate;721410-98-6

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1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Basic Attributes

Molecular Weight：

266.36 g/mol

Exact Mass：

266.10889899 g/mol

Characteristics

PSA：

71.1 Å²

Water Solubility：

27 [ug/mL]

Computed Properties

Molecular Weight:266.36
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:266.10889899
Monoisotopic Mass:266.10889899
Topological Polar Surface Area:71.1
Heavy Atom Count:18
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

Basic Attributes
Characteristics
Computed Properties

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