4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid
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![4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bad33e4f87e1428bb27d7e0e5770cec3.png "4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid")
4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid
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CAS No:
565196-49-8
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Formula:
C14H12N2O4S
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Chemical Name:
4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid
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Synonyms:
ZINC3309035;AKOS033630624;AB00718755-01;SR-01000041957;SR-01000041957-1;Z18545542;2-({[(4-carboxyphenyl)carbamoyl]methyl}sulfanyl)pyridin-1-ium-1-olate;565196-49-8
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CAS No:
4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoic acid Basic Attributes
304.32 g/mol
304.05177804 g/mol
Computed Properties
Molecular Weight:304.32
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:304.05177804
Monoisotopic Mass:304.05177804
Topological Polar Surface Area:117
Heavy Atom Count:21
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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