5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid
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5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid
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CAS No:
637320-93-5
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Formula:
C14H19NO4S
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Chemical Name:
5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid
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Synonyms:
5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid;637320-93-5;ALBB-029697;ZINC4303117;MFCD04443695;STK807363;AKOS000806308;MCULE-9882304634;LS-10581;ST50776801;5-(azaperhydroepinylsulfonyl)-2-methylbenzoic acid;5-(AZEPANE-1-SULFONYL)-2-METHYLBENZOIC ACID;benzoic acid, 5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-2-methyl-
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CAS No:
Computed Properties
Molecular Weight:297.37
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:297.10347926
Monoisotopic Mass:297.10347926
Topological Polar Surface Area:83.1
Heavy Atom Count:20
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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