3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ab62399d4f404e9fbce8912678d064d8.png "3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
763090-12-6
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Formula:
C17H19N3O4
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Chemical Name:
3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000774181;CHEMBL1531285;HMS1716O17;HMS2714H14;ZINC2624529;AKOS002503511;MCULE-9504064276;SMR000365035;Z19629962;3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;763090-12-6
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CAS No:
3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
329.35 g/mol
329.13755610 g/mol
Computed Properties
Molecular Weight:329.35
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:329.13755610
Monoisotopic Mass:329.13755610
Topological Polar Surface Area:90.3
Heavy Atom Count:24
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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