1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide
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1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide
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CAS No:
785798-73-4
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Formula:
C13H13N3O3S
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Chemical Name:
1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide
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Synonyms:
SMR000067739;MLS000097452;CHEMBL1604701;HMS1717N12;HMS2324F11;ZINC2631923;AKOS033630631;SR-01000057133;SR-01000057133-1;Z18545579;2-({[(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl}sulfanyl)pyridin-1-ium-1-olate;785798-73-4
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CAS No:
1-methyl-N-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrole-2-carboxamide Basic Attributes
291.33 g/mol
291.06776246 g/mol
Computed Properties
Molecular Weight:291.33
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:291.06776246
Monoisotopic Mass:291.06776246
Topological Polar Surface Area:102
Heavy Atom Count:20
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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