3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b408c7577d2a4c80bc52c3d9e6d46209.png "3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
796118-97-3
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Formula:
C18H16N2O3S
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Chemical Name:
3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS000761013;CHEMBL1587118;SCHEMBL18210763;HMS2706J04;ZINC3323744;MCULE-8112637364;SMR000372316;Z19629866;3-{2-[(4-methylphenyl)sulfanyl]ethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;796118-97-3
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CAS No:
3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
340.4 g/mol
340.08816355 g/mol
Computed Properties
Molecular Weight:340.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:340.08816355
Monoisotopic Mass:340.08816355
Topological Polar Surface Area:95.3
Heavy Atom Count:24
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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