4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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![4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c6b2f22bd0954ed7a890868c356af4b1.png "4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid")
4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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CAS No:
1212342-43-2
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Formula:
C19H19N3O4
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Chemical Name:
4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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Synonyms:
4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}amino)benzoic acid;MLS001075064;CHEMBL1316435;HMS2269N10;ZINC2115241;BBL033756;STL372217;AKOS015938813;NCGC00160320-01;SMR000646450;VS-12253;NCGC00160320-01!4-(Cytisin-12-amido)-benzoic acid;1212342-43-2;1820570-66-8;4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid;4-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0(2),?]trideca-2,4-diene-11-carbonyl]amino}benzoic acid;4-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-diene-11-carbonyl]amino}benzoic acid
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CAS No:
4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid Basic Attributes
353.4 g/mol
353.13755610 g/mol
Computed Properties
Molecular Weight:353.4
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:353.13755610
Monoisotopic Mass:353.13755610
Topological Polar Surface Area:90
Heavy Atom Count:26
Complexity:678
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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