3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9451437b279345adb78fa8bff0672d85.png "3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728892-45-3
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Formula:
C17H12IN3O4
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Chemical Name:
3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3271703;AKOS002502631;MCULE-5511475355;SR-01000039715;SR-01000039715-1;Z19630028;3-{[(4-iodophenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728892-45-3
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CAS No:
3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
449.20 g/mol
448.98725 g/mol
Computed Properties
Molecular Weight:449.20
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:448.98725
Monoisotopic Mass:448.98725
Topological Polar Surface Area:99.1
Heavy Atom Count:25
Complexity:586
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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