2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
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2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
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CAS No:
13226-11-4
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Formula:
C20H14N2O5S
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Chemical Name:
2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
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Synonyms:
NSC116654;13226-11-4;NSC-116654;2-(isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid;NCIStruc1_001462;NCIStruc2_000999;CHEMBL1606276;DTXSID10297580;ZINC6468739;CCG-37244;NCGC00014166;NCI116654;NCGC00014166-02;NCGC00097275-01;NCI60_000380;2-(1-isoquinolinyl)-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid;2-(isoquinolin-1-yl)-5-phenyl-4-sulfo-1H -pyrrole-3-carboxylic acid
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CAS No:
2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid Basic Attributes
394.4 g/mol
394.06234272 g/mol
116654
DTXSID10297580
Computed Properties
Molecular Weight:394.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:394.06234272
Monoisotopic Mass:394.06234272
Topological Polar Surface Area:129
Heavy Atom Count:28
Complexity:673
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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